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 1e7e_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.318 175.328 -0.017 0.000 0.993 3 H CA 0.000 56.012 56.048 -0.060 0.000 1.023 3 H CB 0.000 29.700 29.762 -0.103 0.000 1.292 4 K N 0.111 120.610 120.400 0.166 0.000 2.266 4 K HA 0.381 4.711 4.320 0.016 0.000 0.209 4 K C 0.136 176.792 176.600 0.093 0.000 1.065 4 K CA 0.642 56.985 56.287 0.093 0.000 0.946 4 K CB 0.632 33.171 32.500 0.064 0.000 1.069 4 K HN 0.248 nan 8.250 nan 0.000 0.472 5 S N 1.574 117.321 115.700 0.079 0.000 2.423 5 S HA 0.140 4.619 4.470 0.016 0.000 0.317 5 S C 0.378 175.033 174.600 0.093 0.000 1.065 5 S CA -0.354 57.883 58.200 0.061 0.000 1.111 5 S CB 0.887 64.084 63.200 -0.005 0.000 0.968 5 S HN 0.319 nan 8.310 nan 0.000 0.474 6 E N 3.308 123.590 120.200 0.136 0.000 2.150 6 E HA -0.119 4.241 4.350 0.016 0.000 0.193 6 E C 1.541 178.251 176.600 0.183 0.000 0.985 6 E CA 1.178 57.688 56.400 0.183 0.000 0.814 6 E CB 0.132 29.946 29.700 0.191 0.000 0.752 6 E HN 0.664 nan 8.360 nan 0.000 0.466 7 V N 1.074 121.077 119.914 0.149 0.000 2.244 7 V HA -0.234 3.896 4.120 0.016 0.000 0.244 7 V C 2.536 178.672 176.094 0.071 0.000 1.042 7 V CA 1.781 64.169 62.300 0.147 0.000 1.006 7 V CB -1.334 30.541 31.823 0.086 0.000 0.641 7 V HN 0.346 nan 8.190 nan 0.000 0.446 8 A N -0.084 122.721 122.820 -0.025 0.000 1.892 8 A HA -0.344 3.985 4.320 0.016 0.000 0.218 8 A C 2.313 179.912 177.584 0.026 0.000 1.188 8 A CA 2.386 54.389 52.037 -0.057 0.000 0.631 8 A CB -1.189 17.758 19.000 -0.089 0.000 0.822 8 A HN 0.793 nan 8.150 nan 0.000 0.447 9 H N -0.518 118.504 119.070 -0.080 0.000 2.319 9 H HA -0.144 4.421 4.556 0.016 0.000 0.299 9 H C 2.118 177.425 175.328 -0.034 0.000 1.092 9 H CA 1.812 57.773 56.048 -0.145 0.000 1.302 9 H CB -0.006 29.558 29.762 -0.329 0.000 1.373 9 H HN 0.301 nan 8.280 nan 0.000 0.497 10 R N -0.201 120.232 120.500 -0.112 0.000 2.115 10 R HA -0.112 4.238 4.340 0.016 0.000 0.230 10 R C 2.339 178.645 176.300 0.009 0.000 1.111 10 R CA 0.679 56.731 56.100 -0.080 0.000 0.976 10 R CB -1.198 29.180 30.300 0.131 0.000 0.870 10 R HN 0.340 nan 8.270 nan 0.000 0.445 11 F N 2.266 122.134 119.950 -0.137 0.000 2.039 11 F HA -0.170 4.366 4.527 0.016 0.000 0.294 11 F C 2.283 177.972 175.800 -0.185 0.000 1.130 11 F CA 1.628 59.451 58.000 -0.295 0.000 1.189 11 F CB -0.126 38.571 39.000 -0.504 0.000 0.983 11 F HN -0.147 nan 8.300 nan 0.000 0.471 12 K N -0.176 120.280 120.400 0.093 0.000 2.077 12 K HA -0.284 4.045 4.320 0.016 0.000 0.213 12 K C 1.873 178.425 176.600 -0.080 0.000 1.051 12 K CA 1.958 58.257 56.287 0.020 0.000 0.929 12 K CB -0.546 31.961 32.500 0.011 0.000 0.715 12 K HN 0.301 nan 8.250 nan 0.000 0.451 13 D N 0.419 120.732 120.400 -0.145 0.000 2.078 13 D HA -0.127 4.523 4.640 0.016 0.000 0.193 13 D C 1.841 178.069 176.300 -0.120 0.000 0.990 13 D CA 0.989 54.891 54.000 -0.163 0.000 0.827 13 D CB 0.019 40.633 40.800 -0.309 0.000 0.975 13 D HN -0.060 nan 8.370 nan 0.000 0.451 14 L N -0.386 120.762 121.223 -0.126 0.000 2.023 14 L HA 0.222 4.572 4.340 0.016 0.000 0.205 14 L C 1.264 178.048 176.870 -0.143 0.000 1.073 14 L CA 1.557 56.339 54.840 -0.097 0.000 0.745 14 L CB -1.124 40.919 42.059 -0.027 0.000 0.900 14 L HN 0.301 nan 8.230 nan 0.000 0.435 15 G N -1.061 107.564 108.800 -0.293 0.000 2.770 15 G HA2 -0.147 3.823 3.960 0.016 0.000 0.686 15 G HA3 -0.147 3.823 3.960 0.016 0.000 0.686 15 G C 0.470 175.082 174.900 -0.480 0.000 1.180 15 G CA 0.104 45.006 45.100 -0.330 0.000 0.767 15 G HN 0.263 nan 8.290 nan 0.000 0.646 16 E N 0.365 120.238 120.200 -0.544 0.000 2.086 16 E HA -0.242 4.118 4.350 0.016 0.000 0.200 16 E C 2.027 178.592 176.600 -0.058 0.000 1.012 16 E CA 2.271 58.456 56.400 -0.359 0.000 0.812 16 E CB -0.013 29.688 29.700 0.001 0.000 0.743 16 E HN 0.515 nan 8.360 nan 0.000 0.453 17 E N 0.693 120.872 120.200 -0.035 0.000 2.023 17 E HA -0.180 4.179 4.350 0.016 0.000 0.196 17 E C 1.935 178.552 176.600 0.028 0.000 1.003 17 E CA 1.322 57.733 56.400 0.019 0.000 0.809 17 E CB -0.550 29.158 29.700 0.014 0.000 0.755 17 E HN 0.445 nan 8.360 nan 0.000 0.449 18 N N 0.004 118.704 118.700 -0.000 0.000 2.270 18 N HA -0.120 4.630 4.740 0.016 0.000 0.181 18 N C 1.873 177.385 175.510 0.003 0.000 1.016 18 N CA 0.435 53.485 53.050 0.001 0.000 0.870 18 N CB -0.307 38.170 38.487 -0.016 0.000 0.979 18 N HN 0.084 nan 8.380 nan 0.000 0.431 19 F N 2.843 122.700 119.950 -0.155 0.000 2.046 19 F HA -0.192 4.344 4.527 0.016 0.000 0.297 19 F C 2.192 177.984 175.800 -0.015 0.000 1.123 19 F CA 1.653 59.572 58.000 -0.135 0.000 1.199 19 F CB -0.075 38.737 39.000 -0.313 0.000 0.972 19 F HN -0.123 nan 8.300 nan 0.000 0.474 20 K N 0.247 120.741 120.400 0.156 0.000 2.097 20 K HA -0.120 4.209 4.320 0.016 0.000 0.206 20 K C 2.294 178.905 176.600 0.018 0.000 1.049 20 K CA 1.221 57.573 56.287 0.108 0.000 0.933 20 K CB -0.649 31.961 32.500 0.182 0.000 0.717 20 K HN 0.363 nan 8.250 nan 0.000 0.442 21 A N 1.668 124.501 122.820 0.022 0.000 1.877 21 A HA -0.137 4.192 4.320 0.016 0.000 0.216 21 A C 2.186 179.760 177.584 -0.017 0.000 1.186 21 A CA 1.329 53.383 52.037 0.027 0.000 0.620 21 A CB -0.672 18.350 19.000 0.036 0.000 0.822 21 A HN 0.161 nan 8.150 nan 0.000 0.443 22 L N -0.530 120.638 121.223 -0.092 0.000 2.093 22 L HA -0.131 4.219 4.340 0.016 0.000 0.208 22 L C 2.517 179.281 176.870 -0.176 0.000 1.085 22 L CA 0.847 55.601 54.840 -0.142 0.000 0.755 22 L CB -0.460 41.482 42.059 -0.196 0.000 0.904 22 L HN 0.246 nan 8.230 nan 0.000 0.435 23 V N 0.050 119.817 119.914 -0.244 0.000 2.332 23 V HA -0.324 3.806 4.120 0.016 0.000 0.248 23 V C 2.383 178.529 176.094 0.087 0.000 1.055 23 V CA 1.918 64.126 62.300 -0.152 0.000 1.038 23 V CB -0.496 31.251 31.823 -0.127 0.000 0.651 23 V HN 0.337 nan 8.190 nan 0.000 0.450 24 L N 0.069 121.338 121.223 0.077 0.000 1.961 24 L HA -0.146 4.204 4.340 0.016 0.000 0.210 24 L C 2.282 179.201 176.870 0.083 0.000 1.072 24 L CA 1.969 56.880 54.840 0.119 0.000 0.749 24 L CB -0.508 41.622 42.059 0.119 0.000 0.889 24 L HN 0.203 nan 8.230 nan 0.000 0.432 25 I N -0.074 120.525 120.570 0.048 0.000 2.185 25 I HA -0.401 3.778 4.170 0.016 0.000 0.246 25 I C 2.602 178.713 176.117 -0.010 0.000 1.088 25 I CA 1.419 62.734 61.300 0.025 0.000 1.347 25 I CB -0.957 37.049 38.000 0.009 0.000 1.041 25 I HN 0.476 nan 8.210 nan 0.000 0.415 26 A N 0.911 123.697 122.820 -0.057 0.000 1.858 26 A HA -0.196 4.134 4.320 0.016 0.000 0.216 26 A C 2.095 179.700 177.584 0.034 0.000 1.190 26 A CA 1.504 53.478 52.037 -0.104 0.000 0.617 26 A CB -1.035 17.752 19.000 -0.356 0.000 0.827 26 A HN 0.299 nan 8.150 nan 0.000 0.443 27 F N 0.295 120.272 119.950 0.045 0.000 2.171 27 F HA -0.104 4.432 4.527 0.016 0.000 0.300 27 F C 2.776 178.471 175.800 -0.175 0.000 1.090 27 F CA 0.939 58.946 58.000 0.011 0.000 1.293 27 F CB -0.504 38.419 39.000 -0.128 0.000 1.013 27 F HN 0.262 nan 8.300 nan 0.000 0.486 28 A N -0.616 122.148 122.820 -0.093 0.000 1.933 28 A HA -0.226 4.103 4.320 0.016 0.000 0.218 28 A C 2.106 179.683 177.584 -0.011 0.000 1.175 28 A CA 1.558 53.533 52.037 -0.102 0.000 0.628 28 A CB -0.737 18.247 19.000 -0.028 0.000 0.814 28 A HN 0.446 nan 8.150 nan 0.000 0.444 29 Q N -2.212 117.572 119.800 -0.028 0.000 2.291 29 Q HA -0.127 4.222 4.340 0.016 0.000 0.205 29 Q C 1.555 177.423 176.000 -0.219 0.000 0.970 29 Q CA 1.382 57.100 55.803 -0.142 0.000 0.876 29 Q CB -0.142 28.467 28.738 -0.216 0.000 0.935 29 Q HN 0.864 nan 8.270 nan 0.000 0.455 30 Y N -0.791 119.491 120.300 -0.030 0.000 2.266 30 Y HA -0.001 4.559 4.550 0.016 0.000 0.294 30 Y C 0.608 176.484 175.900 -0.040 0.000 1.127 30 Y CA 0.199 58.281 58.100 -0.030 0.000 1.140 30 Y CB 0.539 38.987 38.460 -0.021 0.000 1.071 30 Y HN -0.013 nan 8.280 nan 0.000 0.525 31 L N 1.972 123.307 121.223 0.187 0.000 2.512 31 L HA 0.176 4.526 4.340 0.016 0.000 0.247 31 L C 0.706 177.788 176.870 0.353 0.000 1.204 31 L CA 0.284 55.214 54.840 0.149 0.000 1.153 31 L CB -0.022 42.200 42.059 0.271 0.000 1.415 31 L HN 0.305 nan 8.230 nan 0.000 0.406 32 Q N -0.341 119.622 119.800 0.273 0.000 2.541 32 Q HA -0.102 4.247 4.340 0.016 0.000 0.215 32 Q C 1.048 177.189 176.000 0.234 0.000 0.977 32 Q CA 0.775 56.694 55.803 0.194 0.000 0.934 32 Q CB 0.352 29.145 28.738 0.091 0.000 0.988 32 Q HN 0.561 nan 8.270 nan 0.000 0.521 33 Q N -0.985 119.050 119.800 0.391 0.000 2.402 33 Q HA 0.076 4.426 4.340 0.016 0.000 0.231 33 Q C 0.544 176.659 176.000 0.191 0.000 0.888 33 Q CA 0.168 56.094 55.803 0.205 0.000 0.938 33 Q CB 0.462 29.150 28.738 -0.083 0.000 1.086 33 Q HN 0.281 nan 8.270 nan 0.000 0.543 34 C N 3.715 123.190 119.300 0.292 0.000 2.676 34 C HA 0.183 4.653 4.460 0.016 0.000 0.416 34 C C -1.888 173.108 174.990 0.010 0.000 1.299 34 C CA -0.813 58.243 59.018 0.063 0.000 2.048 34 C CB 0.064 27.753 27.740 -0.084 0.000 2.713 34 C HN 0.233 nan 8.230 nan 0.000 0.624 35 P HA 0.048 nan 4.420 nan 0.000 0.269 35 P C 0.598 177.774 177.300 -0.207 0.000 1.215 35 P CA -0.155 62.926 63.100 -0.031 0.000 0.780 35 P CB 0.247 31.916 31.700 -0.052 0.000 0.898 36 F N 2.670 122.296 119.950 -0.540 0.000 2.043 36 F HA -0.290 4.246 4.527 0.016 0.000 0.297 36 F C 1.805 177.373 175.800 -0.385 0.000 1.118 36 F CA 2.082 59.578 58.000 -0.840 0.000 1.202 36 F CB -0.813 37.712 39.000 -0.791 0.000 0.965 36 F HN 0.331 nan 8.300 nan 0.000 0.482 37 E N 0.250 120.295 120.200 -0.259 0.000 2.187 37 E HA -0.243 4.117 4.350 0.016 0.000 0.199 37 E C 1.800 178.227 176.600 -0.288 0.000 1.004 37 E CA 1.725 57.965 56.400 -0.266 0.000 0.813 37 E CB -0.541 29.090 29.700 -0.117 0.000 0.736 37 E HN 0.486 nan 8.360 nan 0.000 0.468 38 D N -0.767 119.459 120.400 -0.291 0.000 2.097 38 D HA -0.118 4.532 4.640 0.016 0.000 0.197 38 D C 1.760 177.890 176.300 -0.284 0.000 0.984 38 D CA 1.028 54.860 54.000 -0.280 0.000 0.826 38 D CB -0.160 40.456 40.800 -0.308 0.000 0.973 38 D HN 0.266 nan 8.370 nan 0.000 0.460 39 H N -0.103 118.820 119.070 -0.245 0.000 2.353 39 H HA -0.016 4.549 4.556 0.016 0.000 0.300 39 H C 2.340 177.472 175.328 -0.326 0.000 1.090 39 H CA 0.585 56.478 56.048 -0.257 0.000 1.327 39 H CB -0.600 29.095 29.762 -0.112 0.000 1.383 39 H HN 0.023 nan 8.280 nan 0.000 0.508 40 V N 1.564 121.275 119.914 -0.338 0.000 2.392 40 V HA -0.244 3.885 4.120 0.016 0.000 0.249 40 V C 2.644 178.623 176.094 -0.192 0.000 1.059 40 V CA 1.906 64.009 62.300 -0.328 0.000 1.051 40 V CB -0.417 31.117 31.823 -0.481 0.000 0.658 40 V HN 0.371 nan 8.190 nan 0.000 0.455 41 K N -0.032 120.253 120.400 -0.193 0.000 2.026 41 K HA -0.154 4.175 4.320 0.016 0.000 0.208 41 K C 2.175 178.692 176.600 -0.139 0.000 1.048 41 K CA 1.581 57.783 56.287 -0.141 0.000 0.929 41 K CB -0.217 32.200 32.500 -0.139 0.000 0.713 41 K HN 0.405 nan 8.250 nan 0.000 0.439 42 L N 0.854 121.952 121.223 -0.208 0.000 1.976 42 L HA -0.202 4.147 4.340 0.016 0.000 0.209 42 L C 2.563 179.316 176.870 -0.196 0.000 1.071 42 L CA 1.266 55.919 54.840 -0.311 0.000 0.746 42 L CB -0.611 41.048 42.059 -0.667 0.000 0.890 42 L HN 0.020 nan 8.230 nan 0.000 0.432 43 V N 0.374 120.200 119.914 -0.146 0.000 2.453 43 V HA -0.317 3.813 4.120 0.016 0.000 0.252 43 V C 2.198 178.346 176.094 0.091 0.000 1.068 43 V CA 1.916 64.234 62.300 0.030 0.000 1.070 43 V CB -0.793 31.052 31.823 0.037 0.000 0.664 43 V HN 0.497 nan 8.190 nan 0.000 0.461 44 N N -0.084 118.634 118.700 0.030 0.000 2.135 44 N HA -0.111 4.638 4.740 0.016 0.000 0.186 44 N C 1.881 177.438 175.510 0.078 0.000 1.027 44 N CA 1.230 54.315 53.050 0.059 0.000 0.849 44 N CB -0.276 38.218 38.487 0.011 0.000 1.002 44 N HN 0.565 nan 8.380 nan 0.000 0.425 45 E N 0.241 120.464 120.200 0.038 0.000 2.118 45 E HA -0.112 4.248 4.350 0.016 0.000 0.195 45 E C 1.816 178.497 176.600 0.134 0.000 0.992 45 E CA 0.755 57.185 56.400 0.051 0.000 0.804 45 E CB 0.081 29.776 29.700 -0.008 0.000 0.741 45 E HN 0.049 nan 8.360 nan 0.000 0.458 46 V N 0.578 120.599 119.914 0.178 0.000 2.323 46 V HA -0.210 3.920 4.120 0.016 0.000 0.244 46 V C 2.240 178.585 176.094 0.420 0.000 1.041 46 V CA 2.020 64.517 62.300 0.328 0.000 1.025 46 V CB -0.417 31.633 31.823 0.378 0.000 0.656 46 V HN 0.315 nan 8.190 nan 0.000 0.451 47 T N -0.677 114.122 114.554 0.409 0.000 2.881 47 T HA -0.212 4.147 4.350 0.016 0.000 0.270 47 T C 1.819 176.599 174.700 0.134 0.000 1.068 47 T CA 1.593 63.944 62.100 0.418 0.000 1.131 47 T CB -0.159 68.956 68.868 0.412 0.000 0.871 47 T HN 0.584 nan 8.240 nan 0.000 0.479 48 E N -0.178 120.100 120.200 0.129 0.000 2.107 48 E HA -0.091 4.269 4.350 0.016 0.000 0.191 48 E C 1.908 178.531 176.600 0.038 0.000 0.982 48 E CA 0.620 57.050 56.400 0.050 0.000 0.809 48 E CB -0.137 29.605 29.700 0.071 0.000 0.756 48 E HN 0.485 nan 8.360 nan 0.000 0.459 49 F N 1.704 121.639 119.950 -0.024 0.000 2.051 49 F HA -0.093 4.443 4.527 0.015 0.000 0.296 49 F C 2.196 177.928 175.800 -0.113 0.000 1.122 49 F CA 1.744 59.724 58.000 -0.034 0.000 1.201 49 F CB -0.924 38.096 39.000 0.033 0.000 0.978 49 F HN 0.047 nan 8.300 nan 0.000 0.472 50 A N 0.022 122.666 122.820 -0.292 0.000 1.958 50 A HA -0.318 4.011 4.320 0.016 0.000 0.221 50 A C 2.194 179.275 177.584 -0.839 0.000 1.178 50 A CA 2.301 53.990 52.037 -0.581 0.000 0.642 50 A CB -0.904 17.792 19.000 -0.507 0.000 0.816 50 A HN 0.454 nan 8.150 nan 0.000 0.453 51 K N -1.256 118.671 120.400 -0.789 0.000 2.148 51 K HA -0.050 4.279 4.320 0.016 0.000 0.204 51 K C 2.120 178.452 176.600 -0.446 0.000 1.050 51 K CA 1.590 57.452 56.287 -0.708 0.000 0.942 51 K CB -0.442 31.783 32.500 -0.458 0.000 0.724 51 K HN 0.458 nan 8.250 nan 0.000 0.446 52 T N -0.195 114.129 114.554 -0.383 0.000 2.720 52 T HA -0.177 4.183 4.350 0.016 0.000 0.268 52 T C 1.844 176.356 174.700 -0.314 0.000 1.037 52 T CA 1.519 63.450 62.100 -0.282 0.000 1.144 52 T CB -0.336 68.401 68.868 -0.218 0.000 0.864 52 T HN 0.330 nan 8.240 nan 0.000 0.444 53 c N 0.755 119.079 118.600 -0.461 0.000 2.440 53 c HA 0.052 4.631 4.570 0.016 0.000 0.278 53 c C 2.727 176.662 174.090 -0.258 0.000 1.295 53 c CA -0.038 56.075 56.329 -0.360 0.000 1.738 53 c CB -1.078 41.169 42.510 -0.440 0.000 1.987 53 c HN 0.351 nan 8.230 nan 0.000 0.492 54 V N 1.333 121.058 119.914 -0.315 0.000 2.867 54 V HA -0.162 3.967 4.120 0.016 0.000 0.260 54 V C 2.409 178.410 176.094 -0.156 0.000 1.099 54 V CA 1.969 64.133 62.300 -0.227 0.000 1.122 54 V CB -1.062 30.581 31.823 -0.300 0.000 0.708 54 V HN 0.639 nan 8.190 nan 0.000 0.490 55 A N -0.835 121.887 122.820 -0.164 0.000 1.924 55 A HA 0.080 4.409 4.320 0.016 0.000 0.211 55 A C 1.050 178.585 177.584 -0.083 0.000 1.198 55 A CA 0.942 52.913 52.037 -0.110 0.000 0.657 55 A CB 0.186 19.121 19.000 -0.110 0.000 0.852 55 A HN 0.491 nan 8.150 nan 0.000 0.454 56 D N -1.114 119.230 120.400 -0.093 0.000 2.616 56 D HA 0.225 4.874 4.640 0.016 0.000 0.238 56 D C 0.146 176.404 176.300 -0.071 0.000 1.354 56 D CA -0.325 53.636 54.000 -0.064 0.000 0.970 56 D CB 0.970 41.742 40.800 -0.046 0.000 1.369 56 D HN 0.246 nan 8.370 nan 0.000 0.585 57 E N 0.977 121.146 120.200 -0.052 0.000 2.204 57 E HA -0.081 4.279 4.350 0.016 0.000 0.195 57 E C 1.195 177.785 176.600 -0.017 0.000 0.990 57 E CA 0.720 57.095 56.400 -0.042 0.000 0.821 57 E CB 0.256 29.947 29.700 -0.015 0.000 0.750 57 E HN 0.302 nan 8.360 nan 0.000 0.477 58 S N 0.912 116.607 115.700 -0.007 0.000 2.507 58 S HA 0.035 4.514 4.470 0.016 0.000 0.235 58 S C 0.885 175.496 174.600 0.018 0.000 0.988 58 S CA 0.185 58.391 58.200 0.010 0.000 0.944 58 S CB -0.093 63.112 63.200 0.009 0.000 0.762 58 S HN 0.309 nan 8.310 nan 0.000 0.526 59 A N 2.022 124.844 122.820 0.003 0.000 2.587 59 A HA 0.026 4.356 4.320 0.016 0.000 0.233 59 A C 0.450 178.083 177.584 0.080 0.000 1.049 59 A CA 0.003 52.054 52.037 0.024 0.000 0.754 59 A CB -0.029 18.960 19.000 -0.018 0.000 0.977 59 A HN 0.441 nan 8.150 nan 0.000 0.509 60 E N 1.273 121.535 120.200 0.104 0.000 2.653 60 E HA -0.117 4.242 4.350 0.016 0.000 0.264 60 E C 0.514 177.249 176.600 0.225 0.000 0.949 60 E CA 0.943 57.420 56.400 0.128 0.000 0.953 60 E CB 0.023 29.784 29.700 0.103 0.000 0.925 60 E HN 0.776 nan 8.360 nan 0.000 0.475 61 N N 1.024 119.834 118.700 0.183 0.000 2.946 61 N HA -0.302 4.447 4.740 0.016 0.000 0.223 61 N C 1.012 176.745 175.510 0.372 0.000 0.850 61 N CA 1.357 54.548 53.050 0.236 0.000 1.057 61 N CB -1.725 36.849 38.487 0.146 0.000 1.020 61 N HN 0.500 nan 8.380 nan 0.000 0.616 62 c N 1.993 120.794 118.600 0.335 0.000 2.400 62 c HA -0.140 4.439 4.570 0.016 0.000 0.291 62 c C 2.221 176.390 174.090 0.131 0.000 1.372 62 c CA 1.258 57.674 56.329 0.146 0.000 1.800 62 c CB -1.103 41.390 42.510 -0.029 0.000 1.869 62 c HN 0.576 nan 8.230 nan 0.000 0.533 63 D N 0.143 120.627 120.400 0.140 0.000 2.277 63 D HA -0.042 4.607 4.640 0.016 0.000 0.209 63 D C 0.521 176.899 176.300 0.130 0.000 0.970 63 D CA 0.266 54.334 54.000 0.113 0.000 0.874 63 D CB -0.368 40.484 40.800 0.087 0.000 0.982 63 D HN 0.393 nan 8.370 nan 0.000 0.504 64 K N 1.882 122.372 120.400 0.150 0.000 2.591 64 K HA 0.009 4.339 4.320 0.016 0.000 0.280 64 K C 0.841 177.537 176.600 0.159 0.000 0.964 64 K CA 0.213 56.586 56.287 0.142 0.000 1.014 64 K CB 0.359 32.945 32.500 0.142 0.000 0.877 64 K HN 0.241 nan 8.250 nan 0.000 0.502 65 S N 2.119 117.908 115.700 0.147 0.000 2.585 65 S HA 0.071 4.550 4.470 0.016 0.000 0.273 65 S C 1.571 176.289 174.600 0.198 0.000 1.339 65 S CA -0.711 57.589 58.200 0.168 0.000 1.028 65 S CB 0.578 63.872 63.200 0.158 0.000 0.906 65 S HN 0.556 nan 8.310 nan 0.000 0.528 66 L N 1.057 122.402 121.223 0.203 0.000 2.013 66 L HA -0.177 4.172 4.340 0.016 0.000 0.212 66 L C 2.610 179.576 176.870 0.161 0.000 1.073 66 L CA 2.026 56.967 54.840 0.168 0.000 0.753 66 L CB -0.921 41.202 42.059 0.107 0.000 0.890 66 L HN 0.833 nan 8.230 nan 0.000 0.432 67 H N -0.931 118.209 119.070 0.117 0.000 2.289 67 H HA -0.190 4.375 4.556 0.015 0.000 0.296 67 H C 2.365 177.792 175.328 0.165 0.000 1.091 67 H CA 2.274 58.409 56.048 0.145 0.000 1.274 67 H CB -0.338 29.497 29.762 0.122 0.000 1.364 67 H HN 0.208 nan 8.280 nan 0.000 0.490 68 T N 0.500 115.211 114.554 0.261 0.000 2.708 68 T HA -0.138 4.222 4.350 0.016 0.000 0.266 68 T C 2.220 176.999 174.700 0.132 0.000 1.037 68 T CA 1.336 63.539 62.100 0.172 0.000 1.146 68 T CB -0.373 68.574 68.868 0.133 0.000 0.865 68 T HN 0.159 nan 8.240 nan 0.000 0.435 69 L N -0.095 121.215 121.223 0.145 0.000 1.989 69 L HA -0.086 4.264 4.340 0.016 0.000 0.211 69 L C 2.287 179.226 176.870 0.115 0.000 1.071 69 L CA 1.515 56.423 54.840 0.113 0.000 0.749 69 L CB -0.638 41.525 42.059 0.173 0.000 0.890 69 L HN 0.212 nan 8.230 nan 0.000 0.431 70 F N 1.158 121.086 119.950 -0.037 0.000 2.043 70 F HA -0.190 4.346 4.527 0.016 0.000 0.297 70 F C 2.266 177.971 175.800 -0.159 0.000 1.121 70 F CA 1.741 59.648 58.000 -0.154 0.000 1.199 70 F CB -0.994 37.815 39.000 -0.319 0.000 0.968 70 F HN -0.002 nan 8.300 nan 0.000 0.478 71 G N -0.466 108.187 108.800 -0.244 0.000 2.450 71 G HA2 -0.271 3.698 3.960 0.016 0.000 0.220 71 G HA3 -0.271 3.698 3.960 0.016 0.000 0.220 71 G C 1.350 176.155 174.900 -0.159 0.000 1.130 71 G CA 1.063 45.994 45.100 -0.283 0.000 0.760 71 G HN 0.377 nan 8.290 nan 0.000 0.557 72 D N 0.629 120.985 120.400 -0.073 0.000 2.117 72 D HA 0.003 4.652 4.640 0.016 0.000 0.198 72 D C 2.831 179.083 176.300 -0.080 0.000 0.982 72 D CA 1.784 55.757 54.000 -0.045 0.000 0.828 72 D CB -0.195 40.588 40.800 -0.028 0.000 0.967 72 D HN 0.455 nan 8.370 nan 0.000 0.464 73 K N 0.587 120.933 120.400 -0.091 0.000 2.103 73 K HA -0.026 4.304 4.320 0.016 0.000 0.204 73 K C 2.109 178.646 176.600 -0.105 0.000 1.052 73 K CA 0.641 56.894 56.287 -0.057 0.000 0.945 73 K CB -1.089 31.463 32.500 0.087 0.000 0.722 73 K HN 0.027 nan 8.250 nan 0.000 0.443 74 L N 0.718 121.790 121.223 -0.251 0.000 2.079 74 L HA -0.138 4.212 4.340 0.016 0.000 0.210 74 L C 2.361 179.111 176.870 -0.199 0.000 1.081 74 L CA 1.620 56.255 54.840 -0.343 0.000 0.752 74 L CB -0.467 41.068 42.059 -0.874 0.000 0.896 74 L HN 0.558 nan 8.230 nan 0.000 0.433 75 c N -1.675 116.851 118.600 -0.123 0.000 2.539 75 c HA 0.021 4.600 4.570 0.016 0.000 0.271 75 c C 2.231 176.307 174.090 -0.024 0.000 1.412 75 c CA 0.603 56.921 56.329 -0.018 0.000 1.729 75 c CB -1.490 41.045 42.510 0.042 0.000 1.739 75 c HN 0.471 nan 8.230 nan 0.000 0.570 76 T N 0.407 114.929 114.554 -0.053 0.000 3.148 76 T HA 0.047 4.406 4.350 0.016 0.000 0.253 76 T C 0.682 175.357 174.700 -0.042 0.000 1.134 76 T CA 0.599 62.670 62.100 -0.048 0.000 1.051 76 T CB -0.034 68.795 68.868 -0.066 0.000 0.959 76 T HN 0.227 nan 8.240 nan 0.000 0.525 77 V N 2.438 122.331 119.914 -0.036 0.000 2.372 77 V HA 0.370 4.500 4.120 0.016 0.000 0.261 77 V C 1.346 177.453 176.094 0.021 0.000 1.055 77 V CA -0.447 61.846 62.300 -0.011 0.000 0.930 77 V CB 0.404 32.226 31.823 -0.003 0.000 1.031 77 V HN 0.412 nan 8.190 nan 0.000 0.479 78 A N 4.691 127.519 122.820 0.014 0.000 1.877 78 A HA -0.137 4.193 4.320 0.016 0.000 0.216 78 A C 2.304 179.913 177.584 0.041 0.000 1.186 78 A CA 2.191 54.240 52.037 0.020 0.000 0.620 78 A CB -0.698 18.305 19.000 0.004 0.000 0.822 78 A HN 0.861 nan 8.150 nan 0.000 0.443 79 T N -1.576 113.008 114.554 0.049 0.000 2.897 79 T HA -0.154 4.205 4.350 0.016 0.000 0.271 79 T C 1.625 176.397 174.700 0.120 0.000 1.084 79 T CA 1.244 63.378 62.100 0.057 0.000 1.123 79 T CB -0.614 68.278 68.868 0.040 0.000 0.865 79 T HN 0.159 nan 8.240 nan 0.000 0.496 80 L N 1.781 123.120 121.223 0.194 0.000 2.119 80 L HA -0.273 4.076 4.340 0.016 0.000 0.226 80 L C 2.758 179.776 176.870 0.246 0.000 1.093 80 L CA 2.402 57.430 54.840 0.313 0.000 0.806 80 L CB -0.645 41.506 42.059 0.153 0.000 0.902 80 L HN 0.339 nan 8.230 nan 0.000 0.444 81 R N -1.008 119.565 120.500 0.121 0.000 2.148 81 R HA -0.137 4.212 4.340 0.016 0.000 0.227 81 R C 1.947 178.273 176.300 0.043 0.000 1.103 81 R CA 1.751 57.895 56.100 0.073 0.000 0.983 81 R CB -0.033 30.293 30.300 0.042 0.000 0.874 81 R HN 0.514 nan 8.270 nan 0.000 0.451 82 E N -1.681 118.532 120.200 0.023 0.000 2.340 82 E HA 0.056 4.415 4.350 0.016 0.000 0.198 82 E C 1.375 177.929 176.600 -0.076 0.000 0.961 82 E CA 1.083 57.471 56.400 -0.019 0.000 0.905 82 E CB 0.718 30.405 29.700 -0.022 0.000 0.884 82 E HN 0.255 nan 8.360 nan 0.000 0.491 83 T N -0.513 113.966 114.554 -0.126 0.000 2.978 83 T HA -0.023 4.337 4.350 0.016 0.000 0.262 83 T C 0.815 175.155 174.700 -0.599 0.000 1.063 83 T CA 0.941 62.809 62.100 -0.386 0.000 1.140 83 T CB -0.036 68.515 68.868 -0.528 0.000 0.886 83 T HN 0.186 nan 8.240 nan 0.000 0.470 84 Y N 0.082 120.389 120.300 0.013 0.000 2.430 84 Y HA 0.433 4.992 4.550 0.015 0.000 0.254 84 Y C 2.090 177.979 175.900 -0.019 0.000 1.088 84 Y CA -0.349 57.758 58.100 0.011 0.000 1.267 84 Y CB -0.116 38.364 38.460 0.035 0.000 1.204 84 Y HN 0.283 nan 8.280 nan 0.000 0.515 85 G N 1.393 110.252 108.800 0.099 0.000 3.024 85 G HA2 -0.550 3.419 3.960 0.016 0.000 0.339 85 G HA3 -0.550 3.419 3.960 0.016 0.000 0.339 85 G C 1.335 176.243 174.900 0.012 0.000 1.200 85 G CA 1.221 46.345 45.100 0.040 0.000 0.968 85 G HN 0.402 nan 8.290 nan 0.000 0.593 86 E N 0.212 120.390 120.200 -0.036 0.000 2.171 86 E HA -0.136 4.223 4.350 0.016 0.000 0.197 86 E C 2.584 179.044 176.600 -0.232 0.000 0.997 86 E CA 1.760 58.092 56.400 -0.114 0.000 0.810 86 E CB -0.192 29.428 29.700 -0.134 0.000 0.738 86 E HN 0.590 nan 8.360 nan 0.000 0.467 87 M N -0.102 119.354 119.600 -0.238 0.000 2.213 87 M HA -0.132 4.357 4.480 0.016 0.000 0.263 87 M C 2.059 178.364 176.300 0.008 0.000 1.062 87 M CA 1.636 56.822 55.300 -0.191 0.000 1.105 87 M CB -0.003 32.610 32.600 0.021 0.000 1.385 87 M HN 0.183 nan 8.290 nan 0.000 0.417 88 A N -0.098 122.749 122.820 0.045 0.000 2.125 88 A HA -0.177 4.152 4.320 0.016 0.000 0.219 88 A C 1.583 179.181 177.584 0.024 0.000 1.156 88 A CA 1.812 53.889 52.037 0.067 0.000 0.671 88 A CB -0.755 18.286 19.000 0.069 0.000 0.794 88 A HN 0.559 nan 8.150 nan 0.000 0.459 89 D N -0.764 119.625 120.400 -0.020 0.000 2.234 89 D HA -0.062 4.588 4.640 0.016 0.000 0.205 89 D C 1.800 178.065 176.300 -0.058 0.000 0.962 89 D CA 0.868 54.851 54.000 -0.029 0.000 0.855 89 D CB -0.279 40.505 40.800 -0.028 0.000 0.951 89 D HN 0.472 nan 8.370 nan 0.000 0.500 90 c N 0.370 118.899 118.600 -0.118 0.000 2.422 90 c HA -0.131 4.449 4.570 0.016 0.000 0.279 90 c C 2.732 176.678 174.090 -0.240 0.000 1.305 90 c CA 0.065 56.221 56.329 -0.287 0.000 1.757 90 c CB -1.029 41.034 42.510 -0.746 0.000 1.962 90 c HN 0.424 nan 8.230 nan 0.000 0.499 91 c N 1.256 119.805 118.600 -0.085 0.000 2.460 91 c HA 0.107 4.686 4.570 0.016 0.000 0.291 91 c C 2.312 176.401 174.090 -0.002 0.000 1.493 91 c CA 0.888 57.228 56.329 0.019 0.000 1.748 91 c CB -2.100 40.462 42.510 0.088 0.000 1.656 91 c HN 0.703 nan 8.230 nan 0.000 0.576 92 A N -0.085 122.719 122.820 -0.028 0.000 2.460 92 A HA 0.226 4.556 4.320 0.016 0.000 0.258 92 A C 0.574 178.146 177.584 -0.021 0.000 1.300 92 A CA -0.031 51.996 52.037 -0.016 0.000 0.913 92 A CB -0.080 18.912 19.000 -0.012 0.000 1.031 92 A HN 0.651 nan 8.150 nan 0.000 0.512 93 K N -0.950 119.430 120.400 -0.034 0.000 2.295 93 K HA 0.668 4.998 4.320 0.016 0.000 0.239 93 K C 0.044 176.638 176.600 -0.010 0.000 0.991 93 K CA -0.564 55.707 56.287 -0.027 0.000 0.845 93 K CB 0.601 33.072 32.500 -0.049 0.000 1.197 93 K HN 0.200 nan 8.250 nan 0.000 0.441 94 Q N 0.961 120.760 119.800 -0.002 0.000 2.417 94 Q HA -0.007 4.342 4.340 0.016 0.000 0.241 94 Q C 1.013 177.021 176.000 0.013 0.000 1.008 94 Q CA 0.529 56.337 55.803 0.010 0.000 0.901 94 Q CB 0.357 29.100 28.738 0.008 0.000 1.259 94 Q HN 0.796 nan 8.270 nan 0.000 0.489 95 E N 0.958 121.177 120.200 0.032 0.000 2.038 95 E HA -0.109 4.251 4.350 0.016 0.000 0.195 95 E C -0.809 175.819 176.600 0.047 0.000 1.000 95 E CA 2.195 58.629 56.400 0.055 0.000 0.803 95 E CB -0.971 28.778 29.700 0.081 0.000 0.750 95 E HN 0.671 nan 8.360 nan 0.000 0.448 96 P HA -0.222 nan 4.420 nan 0.000 0.220 96 P C 0.635 177.952 177.300 0.028 0.000 1.155 96 P CA 2.183 65.290 63.100 0.012 0.000 0.880 96 P CB -0.086 31.613 31.700 -0.002 0.000 0.790 97 E N -1.185 119.023 120.200 0.013 0.000 2.076 97 E HA -0.113 4.247 4.350 0.016 0.000 0.190 97 E C 2.271 178.849 176.600 -0.038 0.000 0.979 97 E CA 0.358 56.757 56.400 -0.003 0.000 0.807 97 E CB -0.363 29.329 29.700 -0.014 0.000 0.761 97 E HN 0.164 nan 8.360 nan 0.000 0.454 98 R N 1.489 121.959 120.500 -0.051 0.000 2.096 98 R HA -0.192 4.157 4.340 0.016 0.000 0.240 98 R C 2.259 178.452 176.300 -0.179 0.000 1.139 98 R CA 1.863 57.860 56.100 -0.171 0.000 0.952 98 R CB -0.219 30.052 30.300 -0.048 0.000 0.854 98 R HN 0.155 nan 8.270 nan 0.000 0.436 99 N N -0.175 118.610 118.700 0.141 0.000 2.142 99 N HA -0.173 4.576 4.740 0.016 0.000 0.186 99 N C 1.433 177.112 175.510 0.282 0.000 1.023 99 N CA 1.038 54.312 53.050 0.374 0.000 0.852 99 N CB 0.050 38.796 38.487 0.431 0.000 0.998 99 N HN 0.169 nan 8.380 nan 0.000 0.424 100 E N 0.962 121.260 120.200 0.164 0.000 2.118 100 E HA -0.135 4.224 4.350 0.016 0.000 0.195 100 E C 2.077 178.717 176.600 0.067 0.000 0.992 100 E CA 0.346 56.833 56.400 0.145 0.000 0.804 100 E CB -0.927 28.831 29.700 0.097 0.000 0.741 100 E HN 0.386 nan 8.360 nan 0.000 0.458 101 c N -0.383 118.200 118.600 -0.028 0.000 2.453 101 c HA -0.130 4.449 4.570 0.016 0.000 0.277 101 c C 2.451 176.526 174.090 -0.024 0.000 1.262 101 c CA 0.476 56.739 56.329 -0.109 0.000 1.718 101 c CB -1.390 40.982 42.510 -0.231 0.000 2.031 101 c HN 0.349 nan 8.230 nan 0.000 0.480 102 F N 0.645 120.708 119.950 0.187 0.000 2.069 102 F HA -0.073 4.463 4.527 0.015 0.000 0.298 102 F C 2.183 178.138 175.800 0.257 0.000 1.113 102 F CA 1.198 59.357 58.000 0.266 0.000 1.214 102 F CB -1.367 37.779 39.000 0.244 0.000 0.978 102 F HN 0.083 nan 8.300 nan 0.000 0.474 103 L N 0.236 121.716 121.223 0.428 0.000 2.089 103 L HA -0.272 4.077 4.340 0.016 0.000 0.213 103 L C 2.329 179.253 176.870 0.090 0.000 1.079 103 L CA 1.780 56.767 54.840 0.245 0.000 0.758 103 L CB -1.493 40.673 42.059 0.178 0.000 0.891 103 L HN 0.309 nan 8.230 nan 0.000 0.433 104 Q N -1.320 118.465 119.800 -0.026 0.000 2.050 104 Q HA -0.174 4.176 4.340 0.016 0.000 0.202 104 Q C 1.366 177.266 176.000 -0.167 0.000 0.980 104 Q CA 1.329 57.025 55.803 -0.178 0.000 0.840 104 Q CB -0.183 28.325 28.738 -0.384 0.000 0.898 104 Q HN 0.604 nan 8.270 nan 0.000 0.424 105 H N 0.465 119.616 119.070 0.134 0.000 2.612 105 H HA 0.170 4.736 4.556 0.016 0.000 0.285 105 H C -0.181 175.217 175.328 0.118 0.000 1.066 105 H CA 0.393 56.521 56.048 0.133 0.000 1.180 105 H CB -0.158 29.701 29.762 0.162 0.000 1.312 105 H HN 0.062 nan 8.280 nan 0.000 0.606 106 K N 1.831 122.313 120.400 0.137 0.000 2.248 106 K HA 0.052 4.381 4.320 0.016 0.000 0.281 106 K C -0.109 176.540 176.600 0.082 0.000 1.054 106 K CA -0.379 55.919 56.287 0.017 0.000 0.903 106 K CB 1.156 33.542 32.500 -0.191 0.000 1.077 106 K HN 0.180 nan 8.250 nan 0.000 0.474 107 D N 2.287 122.724 120.400 0.061 0.000 2.308 107 D HA 0.019 4.669 4.640 0.016 0.000 0.251 107 D C 0.729 177.102 176.300 0.122 0.000 1.127 107 D CA 0.297 54.354 54.000 0.095 0.000 0.876 107 D CB 1.372 42.214 40.800 0.070 0.000 1.176 107 D HN 0.776 nan 8.370 nan 0.000 0.446 108 D N 2.283 122.801 120.400 0.198 0.000 2.183 108 D HA -0.064 4.585 4.640 0.016 0.000 0.205 108 D C 0.884 177.247 176.300 0.106 0.000 0.962 108 D CA 0.933 55.082 54.000 0.248 0.000 0.849 108 D CB -0.377 40.526 40.800 0.172 0.000 0.978 108 D HN 0.573 nan 8.370 nan 0.000 0.488 109 N N 1.178 119.912 118.700 0.056 0.000 2.716 109 N HA 0.541 5.290 4.740 0.016 0.000 0.253 109 N C -2.643 172.869 175.510 0.003 0.000 1.170 109 N CA -0.976 52.080 53.050 0.011 0.000 0.807 109 N CB 1.275 39.769 38.487 0.011 0.000 1.183 109 N HN 0.298 nan 8.380 nan 0.000 0.524 110 P HA 0.393 nan 4.420 nan 0.000 0.297 110 P C -0.981 176.307 177.300 -0.019 0.000 1.303 110 P CA -0.427 62.668 63.100 -0.008 0.000 0.753 110 P CB 0.780 32.471 31.700 -0.014 0.000 1.281 111 N N -0.094 118.597 118.700 -0.015 0.000 2.976 111 N HA 0.370 5.119 4.740 0.016 0.000 0.255 111 N C -0.681 174.815 175.510 -0.024 0.000 1.312 111 N CA -0.081 52.957 53.050 -0.019 0.000 0.897 111 N CB -0.014 38.466 38.487 -0.011 0.000 1.184 111 N HN 0.287 nan 8.380 nan 0.000 0.497 112 L N 0.920 122.122 121.223 -0.035 0.000 2.319 112 L HA 0.641 4.991 4.340 0.016 0.000 0.267 112 L C -1.849 175.000 176.870 -0.036 0.000 1.011 112 L CA -1.875 52.943 54.840 -0.037 0.000 0.818 112 L CB 0.983 43.010 42.059 -0.054 0.000 1.316 112 L HN 0.122 nan 8.230 nan 0.000 0.432 113 P HA 0.163 nan 4.420 nan 0.000 0.271 113 P C -1.065 176.218 177.300 -0.029 0.000 1.216 113 P CA -0.580 62.504 63.100 -0.026 0.000 0.771 113 P CB 0.355 32.042 31.700 -0.023 0.000 0.864 114 R N 2.089 122.576 120.500 -0.021 0.000 2.640 114 R HA 0.159 4.509 4.340 0.016 0.000 0.270 114 R C -0.522 175.771 176.300 -0.012 0.000 1.024 114 R CA -0.385 55.705 56.100 -0.017 0.000 1.085 114 R CB -0.210 30.087 30.300 -0.006 0.000 0.963 114 R HN 0.215 nan 8.270 nan 0.000 0.426 115 L N 4.387 125.607 121.223 -0.006 0.000 2.361 115 L HA 0.131 4.481 4.340 0.016 0.000 0.278 115 L C -0.480 176.412 176.870 0.037 0.000 1.113 115 L CA 0.042 54.885 54.840 0.006 0.000 0.849 115 L CB 1.360 43.434 42.059 0.025 0.000 1.155 115 L HN 0.627 nan 8.230 nan 0.000 0.452 116 V N 2.904 122.840 119.914 0.038 0.000 2.439 116 V HA 0.510 4.640 4.120 0.016 0.000 0.282 116 V C 0.350 176.503 176.094 0.098 0.000 1.039 116 V CA -1.039 61.294 62.300 0.054 0.000 0.913 116 V CB 1.125 32.969 31.823 0.036 0.000 0.983 116 V HN 0.732 nan 8.190 nan 0.000 0.460 117 R N 5.506 126.063 120.500 0.095 0.000 2.242 117 R HA 0.378 4.727 4.340 0.016 0.000 0.334 117 R C -1.850 174.518 176.300 0.112 0.000 1.071 117 R CA -1.243 54.927 56.100 0.117 0.000 0.922 117 R CB 0.619 30.968 30.300 0.082 0.000 1.023 117 R HN 0.790 nan 8.270 nan 0.000 0.458 118 P HA -0.002 nan 4.420 nan 0.000 0.280 118 P C -0.786 176.577 177.300 0.104 0.000 1.278 118 P CA -0.331 62.843 63.100 0.125 0.000 0.787 118 P CB 0.415 32.213 31.700 0.163 0.000 1.163 119 E N -0.939 119.312 120.200 0.085 0.000 2.289 119 E HA 0.094 4.453 4.350 0.016 0.000 0.278 119 E C 1.581 178.228 176.600 0.079 0.000 1.032 119 E CA -0.342 56.099 56.400 0.068 0.000 0.854 119 E CB 0.846 30.575 29.700 0.049 0.000 1.046 119 E HN 0.256 nan 8.360 nan 0.000 0.409 120 V N 2.742 122.700 119.914 0.073 0.000 2.257 120 V HA -0.377 3.753 4.120 0.016 0.000 0.257 120 V C 1.907 178.050 176.094 0.082 0.000 1.077 120 V CA 2.576 64.925 62.300 0.082 0.000 1.063 120 V CB -0.367 31.485 31.823 0.049 0.000 0.664 120 V HN 0.810 nan 8.190 nan 0.000 0.450 121 D N -0.697 119.736 120.400 0.055 0.000 2.224 121 D HA -0.086 4.563 4.640 0.016 0.000 0.205 121 D C 2.076 178.396 176.300 0.033 0.000 0.965 121 D CA 1.336 55.361 54.000 0.041 0.000 0.852 121 D CB 0.052 40.868 40.800 0.027 0.000 0.947 121 D HN 0.429 nan 8.370 nan 0.000 0.494 122 V N 1.125 121.065 119.914 0.042 0.000 2.453 122 V HA -0.197 3.932 4.120 0.016 0.000 0.247 122 V C 2.490 178.593 176.094 0.016 0.000 1.048 122 V CA 1.108 63.429 62.300 0.035 0.000 1.049 122 V CB -0.296 31.560 31.823 0.056 0.000 0.672 122 V HN 0.135 nan 8.190 nan 0.000 0.457 123 M N -0.928 118.699 119.600 0.046 0.000 2.064 123 M HA -0.200 4.290 4.480 0.016 0.000 0.260 123 M C 2.408 178.605 176.300 -0.172 0.000 1.073 123 M CA 2.005 57.293 55.300 -0.021 0.000 1.124 123 M CB -0.564 32.154 32.600 0.196 0.000 1.326 123 M HN 0.378 nan 8.290 nan 0.000 0.410 124 c N 0.242 118.862 118.600 0.033 0.000 2.403 124 c HA -0.156 4.423 4.570 0.016 0.000 0.282 124 c C 2.738 176.868 174.090 0.068 0.000 1.297 124 c CA 1.535 57.937 56.329 0.122 0.000 1.785 124 c CB -1.271 41.325 42.510 0.144 0.000 1.963 124 c HN 0.611 nan 8.230 nan 0.000 0.507 125 T N 0.633 115.178 114.554 -0.015 0.000 2.851 125 T HA 0.014 4.374 4.350 0.016 0.000 0.262 125 T C 2.203 176.863 174.700 -0.067 0.000 1.043 125 T CA 1.274 63.359 62.100 -0.025 0.000 1.140 125 T CB -0.400 68.452 68.868 -0.026 0.000 0.872 125 T HN 0.601 nan 8.240 nan 0.000 0.446 126 A N 1.683 124.393 122.820 -0.183 0.000 1.883 126 A HA -0.053 4.276 4.320 0.016 0.000 0.217 126 A C 1.987 179.335 177.584 -0.394 0.000 1.186 126 A CA 1.341 53.219 52.037 -0.265 0.000 0.624 126 A CB -1.046 17.747 19.000 -0.345 0.000 0.822 126 A HN 0.388 nan 8.150 nan 0.000 0.444 127 F N 0.636 120.047 119.950 -0.899 0.000 2.025 127 F HA -0.260 4.277 4.527 0.016 0.000 0.297 127 F C 2.394 178.065 175.800 -0.216 0.000 1.132 127 F CA 2.280 59.870 58.000 -0.684 0.000 1.191 127 F CB -0.996 37.683 39.000 -0.535 0.000 0.963 127 F HN 0.538 nan 8.300 nan 0.000 0.481 128 H N 0.177 119.073 119.070 -0.290 0.000 2.319 128 H HA -0.145 4.420 4.556 0.016 0.000 0.299 128 H C 1.894 177.101 175.328 -0.201 0.000 1.092 128 H CA 2.110 57.971 56.048 -0.313 0.000 1.302 128 H CB -0.555 29.104 29.762 -0.171 0.000 1.373 128 H HN 0.247 nan 8.280 nan 0.000 0.497 129 D N 0.558 120.999 120.400 0.067 0.000 2.108 129 D HA -0.162 4.487 4.640 0.016 0.000 0.190 129 D C 0.870 177.143 176.300 -0.045 0.000 0.995 129 D CA 1.302 55.331 54.000 0.049 0.000 0.834 129 D CB -0.241 40.585 40.800 0.044 0.000 0.967 129 D HN 0.264 nan 8.370 nan 0.000 0.446 130 N N 0.096 118.779 118.700 -0.028 0.000 2.690 130 N HA -0.022 4.727 4.740 0.016 0.000 0.255 130 N C 0.405 175.952 175.510 0.063 0.000 1.195 130 N CA -0.053 53.000 53.050 0.004 0.000 0.790 130 N CB 0.987 39.505 38.487 0.053 0.000 1.216 130 N HN 0.155 nan 8.380 nan 0.000 0.528 131 E N 1.288 121.482 120.200 -0.011 0.000 2.204 131 E HA -0.146 4.213 4.350 0.016 0.000 0.194 131 E C 0.550 177.291 176.600 0.235 0.000 0.989 131 E CA 0.884 57.358 56.400 0.124 0.000 0.824 131 E CB 0.215 29.826 29.700 -0.147 0.000 0.756 131 E HN 0.416 nan 8.360 nan 0.000 0.477 132 E N 0.694 120.977 120.200 0.139 0.000 2.006 132 E HA -0.148 4.211 4.350 0.016 0.000 0.192 132 E C 2.377 179.087 176.600 0.184 0.000 0.993 132 E CA 2.191 58.679 56.400 0.147 0.000 0.808 132 E CB -0.342 29.420 29.700 0.103 0.000 0.764 132 E HN 0.528 nan 8.360 nan 0.000 0.449 133 T N -0.941 113.725 114.554 0.187 0.000 3.007 133 T HA -0.134 4.225 4.350 0.016 0.000 0.270 133 T C 1.805 176.593 174.700 0.147 0.000 1.107 133 T CA 0.827 63.060 62.100 0.221 0.000 1.118 133 T CB -0.418 68.579 68.868 0.216 0.000 0.889 133 T HN 0.103 nan 8.240 nan 0.000 0.506 134 F N 1.461 121.440 119.950 0.048 0.000 2.128 134 F HA 0.287 4.824 4.527 0.016 0.000 0.295 134 F C 1.825 177.646 175.800 0.035 0.000 1.100 134 F CA 0.611 58.625 58.000 0.025 0.000 1.260 134 F CB -0.319 38.718 39.000 0.062 0.000 1.009 134 F HN 0.090 nan 8.300 nan 0.000 0.476 135 L N -0.010 121.205 121.223 -0.014 0.000 2.044 135 L HA -0.141 4.208 4.340 0.016 0.000 0.205 135 L C 2.465 179.311 176.870 -0.041 0.000 1.075 135 L CA 0.817 55.591 54.840 -0.109 0.000 0.747 135 L CB -0.625 41.488 42.059 0.091 0.000 0.903 135 L HN -0.080 nan 8.230 nan 0.000 0.435 136 K N 0.417 120.866 120.400 0.082 0.000 2.063 136 K HA -0.194 4.135 4.320 0.016 0.000 0.208 136 K C 1.986 178.665 176.600 0.133 0.000 1.048 136 K CA 1.287 57.702 56.287 0.213 0.000 0.928 136 K CB -0.384 32.351 32.500 0.392 0.000 0.713 136 K HN 0.163 nan 8.250 nan 0.000 0.442 137 K N -0.643 119.559 120.400 -0.331 0.000 2.097 137 K HA -0.145 4.184 4.320 0.016 0.000 0.206 137 K C 2.036 178.360 176.600 -0.459 0.000 1.049 137 K CA 1.236 56.891 56.287 -1.054 0.000 0.933 137 K CB -0.103 31.734 32.500 -1.106 0.000 0.717 137 K HN 0.073 nan 8.250 nan 0.000 0.442 138 Y N 0.357 120.414 120.300 -0.405 0.000 2.395 138 Y HA -0.127 4.432 4.550 0.015 0.000 0.293 138 Y C 1.859 177.639 175.900 -0.200 0.000 1.123 138 Y CA 0.539 58.428 58.100 -0.351 0.000 1.227 138 Y CB 0.080 38.204 38.460 -0.561 0.000 1.012 138 Y HN 0.033 nan 8.280 nan 0.000 0.552 139 L N -0.932 120.320 121.223 0.050 0.000 2.056 139 L HA -0.205 4.144 4.340 0.016 0.000 0.207 139 L C 2.277 179.221 176.870 0.123 0.000 1.078 139 L CA 1.751 56.638 54.840 0.078 0.000 0.749 139 L CB -1.093 41.032 42.059 0.111 0.000 0.901 139 L HN 0.369 nan 8.230 nan 0.000 0.433 140 Y N 0.002 120.338 120.300 0.059 0.000 2.224 140 Y HA -0.205 4.355 4.550 0.016 0.000 0.289 140 Y C 2.255 178.181 175.900 0.043 0.000 1.146 140 Y CA 1.869 60.044 58.100 0.125 0.000 1.182 140 Y CB -0.121 38.543 38.460 0.340 0.000 0.983 140 Y HN 0.259 nan 8.280 nan 0.000 0.524 141 E N 0.429 120.580 120.200 -0.081 0.000 2.072 141 E HA -0.148 4.211 4.350 0.016 0.000 0.191 141 E C 2.205 178.715 176.600 -0.151 0.000 0.985 141 E CA 1.273 57.544 56.400 -0.217 0.000 0.801 141 E CB -0.180 29.399 29.700 -0.201 0.000 0.750 141 E HN 0.509 nan 8.360 nan 0.000 0.452 142 I N 1.198 121.732 120.570 -0.060 0.000 2.202 142 I HA -0.147 4.032 4.170 0.016 0.000 0.242 142 I C 2.497 178.619 176.117 0.009 0.000 1.091 142 I CA 0.948 62.242 61.300 -0.009 0.000 1.368 142 I CB -1.801 36.164 38.000 -0.058 0.000 1.058 142 I HN -0.083 nan 8.210 nan 0.000 0.410 143 A N 2.247 125.048 122.820 -0.031 0.000 1.892 143 A HA -0.237 4.092 4.320 0.016 0.000 0.218 143 A C 2.440 179.988 177.584 -0.060 0.000 1.188 143 A CA 2.209 54.234 52.037 -0.019 0.000 0.631 143 A CB -0.763 18.233 19.000 -0.006 0.000 0.822 143 A HN 0.566 nan 8.150 nan 0.000 0.447 144 R N -0.720 119.688 120.500 -0.154 0.000 2.189 144 R HA -0.024 4.326 4.340 0.016 0.000 0.223 144 R C 1.781 178.000 176.300 -0.135 0.000 1.092 144 R CA 1.427 57.428 56.100 -0.165 0.000 0.989 144 R CB -0.307 29.821 30.300 -0.286 0.000 0.876 144 R HN 0.485 nan 8.270 nan 0.000 0.457 145 R N -0.297 120.119 120.500 -0.139 0.000 2.223 145 R HA 0.090 4.439 4.340 0.016 0.000 0.198 145 R C -0.025 176.070 176.300 -0.341 0.000 0.984 145 R CA 0.597 56.563 56.100 -0.224 0.000 1.018 145 R CB 0.255 30.404 30.300 -0.252 0.000 0.945 145 R HN 0.372 nan 8.270 nan 0.000 0.479 146 H N 0.304 119.344 119.070 -0.050 0.000 2.348 146 H HA 0.158 4.723 4.556 0.015 0.000 0.232 146 H C -1.869 173.471 175.328 0.020 0.000 1.419 146 H CA -1.803 54.256 56.048 0.018 0.000 1.416 146 H CB 1.114 30.867 29.762 -0.016 0.000 1.510 146 H HN -0.005 nan 8.280 nan 0.000 0.507 147 P HA -0.181 nan 4.420 nan 0.000 0.225 147 P C 0.189 177.288 177.300 -0.334 0.000 1.148 147 P CA 1.222 64.182 63.100 -0.232 0.000 0.779 147 P CB 0.258 31.715 31.700 -0.405 0.000 0.780 148 Y N -2.401 117.961 120.300 0.104 0.000 2.507 148 Y HA 0.294 4.854 4.550 0.016 0.000 0.254 148 Y C 0.882 176.894 175.900 0.187 0.000 1.171 148 Y CA -0.926 57.234 58.100 0.100 0.000 1.238 148 Y CB -0.458 38.043 38.460 0.067 0.000 1.148 148 Y HN -0.201 nan 8.280 nan 0.000 0.525 149 F N 0.851 120.916 119.950 0.192 0.000 2.504 149 F HA 0.103 4.639 4.527 0.015 0.000 0.369 149 F C 0.306 176.226 175.800 0.200 0.000 1.082 149 F CA -1.216 56.897 58.000 0.187 0.000 1.216 149 F CB 0.153 39.227 39.000 0.124 0.000 1.108 149 F HN 0.045 nan 8.300 nan 0.000 0.554 150 Y N 7.096 127.276 120.300 -0.200 0.000 2.834 150 Y HA 0.119 4.679 4.550 0.016 0.000 0.355 150 Y C 1.114 177.037 175.900 0.038 0.000 1.287 150 Y CA -0.245 57.798 58.100 -0.095 0.000 1.647 150 Y CB -0.005 38.355 38.460 -0.168 0.000 1.221 150 Y HN 0.803 nan 8.280 nan 0.000 0.519 151 A N 7.695 130.399 122.820 -0.193 0.000 1.882 151 A HA -0.270 4.059 4.320 0.016 0.000 0.220 151 A C -0.219 177.213 177.584 -0.253 0.000 1.253 151 A CA 2.290 54.217 52.037 -0.182 0.000 0.664 151 A CB -1.987 16.887 19.000 -0.210 0.000 0.838 151 A HN 0.696 nan 8.150 nan 0.000 0.460 152 P HA -0.166 nan 4.420 nan 0.000 0.217 152 P C 1.421 178.645 177.300 -0.127 0.000 1.148 152 P CA 1.534 64.417 63.100 -0.361 0.000 0.828 152 P CB -0.062 31.341 31.700 -0.494 0.000 0.783 153 E N -1.052 119.099 120.200 -0.081 0.000 2.152 153 E HA -0.123 4.236 4.350 0.016 0.000 0.192 153 E C 1.777 178.714 176.600 0.562 0.000 0.983 153 E CA 0.628 57.119 56.400 0.151 0.000 0.818 153 E CB -0.412 29.369 29.700 0.136 0.000 0.758 153 E HN 0.103 nan 8.360 nan 0.000 0.467 154 L N 1.023 122.611 121.223 0.609 0.000 2.027 154 L HA -0.141 4.208 4.340 0.016 0.000 0.206 154 L C 2.344 179.438 176.870 0.373 0.000 1.074 154 L CA 1.185 56.397 54.840 0.619 0.000 0.745 154 L CB -0.693 41.624 42.059 0.430 0.000 0.898 154 L HN 0.161 nan 8.230 nan 0.000 0.433 155 L N -1.058 120.297 121.223 0.220 0.000 2.187 155 L HA -0.216 4.134 4.340 0.016 0.000 0.213 155 L C 2.198 179.163 176.870 0.158 0.000 1.100 155 L CA 1.764 56.689 54.840 0.142 0.000 0.765 155 L CB -0.916 41.179 42.059 0.060 0.000 0.904 155 L HN 0.412 nan 8.230 nan 0.000 0.437 156 F N -1.530 118.421 119.950 0.003 0.000 2.367 156 F HA -0.063 4.473 4.527 0.016 0.000 0.298 156 F C 1.647 177.378 175.800 -0.115 0.000 1.094 156 F CA 0.893 58.816 58.000 -0.127 0.000 1.409 156 F CB -0.281 38.506 39.000 -0.356 0.000 1.064 156 F HN 0.042 nan 8.300 nan 0.000 0.528 157 F N 0.710 120.620 119.950 -0.066 0.000 2.187 157 F HA 0.100 4.636 4.527 0.015 0.000 0.295 157 F C 2.627 178.400 175.800 -0.045 0.000 1.091 157 F CA 1.136 59.033 58.000 -0.172 0.000 1.308 157 F CB -1.215 37.841 39.000 0.093 0.000 1.030 157 F HN 0.071 nan 8.300 nan 0.000 0.487 158 A N 0.468 123.455 122.820 0.278 0.000 1.884 158 A HA -0.306 4.023 4.320 0.016 0.000 0.219 158 A C 2.243 179.920 177.584 0.155 0.000 1.197 158 A CA 2.316 54.496 52.037 0.239 0.000 0.637 158 A CB -0.827 18.262 19.000 0.149 0.000 0.827 158 A HN 0.365 nan 8.150 nan 0.000 0.450 159 K N -1.007 119.407 120.400 0.024 0.000 2.152 159 K HA -0.126 4.203 4.320 0.016 0.000 0.206 159 K C 2.218 178.773 176.600 -0.076 0.000 1.048 159 K CA 1.461 57.736 56.287 -0.020 0.000 0.933 159 K CB -0.179 32.280 32.500 -0.068 0.000 0.721 159 K HN 0.416 nan 8.250 nan 0.000 0.447 160 R N -0.630 119.736 120.500 -0.223 0.000 2.189 160 R HA -0.074 4.275 4.340 0.016 0.000 0.218 160 R C 1.768 177.956 176.300 -0.187 0.000 1.074 160 R CA 0.969 56.899 56.100 -0.283 0.000 0.991 160 R CB -0.041 29.967 30.300 -0.487 0.000 0.883 160 R HN 0.219 nan 8.270 nan 0.000 0.457 161 Y N 0.621 120.915 120.300 -0.011 0.000 2.206 161 Y HA -0.103 4.456 4.550 0.016 0.000 0.292 161 Y C 2.298 178.301 175.900 0.172 0.000 1.123 161 Y CA 1.183 59.324 58.100 0.068 0.000 1.142 161 Y CB -0.136 38.382 38.460 0.097 0.000 1.006 161 Y HN -0.145 nan 8.280 nan 0.000 0.518 162 K N 0.255 120.834 120.400 0.299 0.000 2.286 162 K HA -0.190 4.139 4.320 0.016 0.000 0.203 162 K C 1.934 178.675 176.600 0.234 0.000 1.045 162 K CA 1.240 57.685 56.287 0.262 0.000 0.935 162 K CB -0.193 32.441 32.500 0.223 0.000 0.737 162 K HN 0.283 nan 8.250 nan 0.000 0.460 163 A N 0.211 123.108 122.820 0.128 0.000 1.975 163 A HA 0.165 4.495 4.320 0.016 0.000 0.215 163 A C 2.209 179.808 177.584 0.025 0.000 1.170 163 A CA 0.994 53.076 52.037 0.076 0.000 0.656 163 A CB -0.424 18.581 19.000 0.010 0.000 0.821 163 A HN 0.404 nan 8.150 nan 0.000 0.449 164 A N -0.654 122.128 122.820 -0.064 0.000 1.898 164 A HA 0.039 4.368 4.320 0.016 0.000 0.216 164 A C 1.872 179.302 177.584 -0.257 0.000 1.181 164 A CA 1.404 53.311 52.037 -0.216 0.000 0.620 164 A CB -0.727 18.040 19.000 -0.387 0.000 0.819 164 A HN 0.446 nan 8.150 nan 0.000 0.442 165 F N 0.190 120.057 119.950 -0.138 0.000 2.186 165 F HA -0.086 4.450 4.527 0.016 0.000 0.299 165 F C 2.748 178.594 175.800 0.077 0.000 1.090 165 F CA 1.647 59.496 58.000 -0.253 0.000 1.307 165 F CB -0.944 37.441 39.000 -1.025 0.000 1.019 165 F HN 0.097 nan 8.300 nan 0.000 0.489 166 T N -0.609 114.165 114.554 0.367 0.000 2.708 166 T HA -0.239 4.121 4.350 0.016 0.000 0.266 166 T C 1.930 176.761 174.700 0.219 0.000 1.037 166 T CA 1.730 64.076 62.100 0.410 0.000 1.146 166 T CB -0.268 68.787 68.868 0.311 0.000 0.865 166 T HN 0.389 nan 8.240 nan 0.000 0.435 167 E N -0.655 119.618 120.200 0.121 0.000 2.216 167 E HA -0.081 4.278 4.350 0.016 0.000 0.192 167 E C 2.040 178.668 176.600 0.047 0.000 0.988 167 E CA 0.847 57.286 56.400 0.065 0.000 0.834 167 E CB -0.076 29.638 29.700 0.024 0.000 0.772 167 E HN 0.462 nan 8.360 nan 0.000 0.479 168 c N -0.151 118.467 118.600 0.029 0.000 2.519 168 c HA 0.081 4.661 4.570 0.016 0.000 0.281 168 c C 2.599 176.724 174.090 0.059 0.000 1.331 168 c CA -0.111 56.222 56.329 0.007 0.000 1.725 168 c CB -0.641 41.822 42.510 -0.078 0.000 2.079 168 c HN 0.607 nan 8.230 nan 0.000 0.496 169 c N 0.897 119.578 118.600 0.135 0.000 2.443 169 c HA -0.011 4.568 4.570 0.016 0.000 0.290 169 c C 2.675 176.845 174.090 0.133 0.000 1.476 169 c CA 1.696 58.132 56.329 0.178 0.000 1.772 169 c CB -2.100 40.616 42.510 0.343 0.000 1.714 169 c HN 0.810 nan 8.230 nan 0.000 0.562 170 Q N -0.774 119.092 119.800 0.110 0.000 2.198 170 Q HA 0.685 5.035 4.340 0.016 0.000 0.209 170 Q C 0.513 176.542 176.000 0.049 0.000 0.848 170 Q CA 0.715 56.564 55.803 0.078 0.000 0.974 170 Q CB -0.035 28.753 28.738 0.083 0.000 1.115 170 Q HN 0.697 nan 8.270 nan 0.000 0.494 171 A N -0.479 122.366 122.820 0.042 0.000 2.269 171 A HA 0.871 5.200 4.320 0.016 0.000 0.319 171 A C 1.535 179.130 177.584 0.019 0.000 1.110 171 A CA 0.170 52.221 52.037 0.025 0.000 0.847 171 A CB 0.560 19.570 19.000 0.016 0.000 1.161 171 A HN 0.873 nan 8.150 nan 0.000 0.497 172 A N -0.022 122.805 122.820 0.012 0.000 1.832 172 A HA 0.014 4.343 4.320 0.016 0.000 0.214 172 A C 0.925 178.513 177.584 0.008 0.000 1.200 172 A CA 1.821 53.863 52.037 0.008 0.000 0.610 172 A CB -0.419 18.584 19.000 0.005 0.000 0.842 172 A HN 0.703 nan 8.150 nan 0.000 0.444 173 D N -0.213 120.190 120.400 0.005 0.000 2.524 173 D HA 0.273 4.923 4.640 0.016 0.000 0.222 173 D C 0.854 177.155 176.300 0.002 0.000 1.142 173 D CA -0.076 53.925 54.000 0.003 0.000 0.973 173 D CB 0.352 41.152 40.800 -0.000 0.000 1.025 173 D HN 0.357 nan 8.370 nan 0.000 0.519 174 K N 1.187 121.592 120.400 0.008 0.000 2.097 174 K HA -0.135 4.195 4.320 0.016 0.000 0.206 174 K C 1.842 178.439 176.600 -0.006 0.000 1.049 174 K CA 1.137 57.428 56.287 0.008 0.000 0.933 174 K CB 0.072 32.588 32.500 0.026 0.000 0.717 174 K HN 0.275 nan 8.250 nan 0.000 0.442 175 A N 1.925 124.745 122.820 -0.001 0.000 1.877 175 A HA -0.090 4.240 4.320 0.016 0.000 0.216 175 A C 2.440 180.015 177.584 -0.016 0.000 1.186 175 A CA 1.788 53.822 52.037 -0.006 0.000 0.620 175 A CB -0.716 18.285 19.000 0.002 0.000 0.822 175 A HN 0.334 nan 8.150 nan 0.000 0.443 176 A N -1.610 121.203 122.820 -0.013 0.000 2.121 176 A HA -0.074 4.256 4.320 0.016 0.000 0.218 176 A C 2.222 179.791 177.584 -0.024 0.000 1.154 176 A CA 1.527 53.555 52.037 -0.015 0.000 0.679 176 A CB -1.039 17.955 19.000 -0.010 0.000 0.795 176 A HN 0.713 nan 8.150 nan 0.000 0.458 177 c N -1.658 116.923 118.600 -0.030 0.000 2.793 177 c HA 0.183 4.763 4.570 0.016 0.000 0.285 177 c C 2.305 176.350 174.090 -0.075 0.000 1.325 177 c CA 0.947 57.250 56.329 -0.043 0.000 1.694 177 c CB -1.117 41.372 42.510 -0.035 0.000 2.151 177 c HN 0.517 nan 8.230 nan 0.000 0.532 178 L N 1.139 122.302 121.223 -0.099 0.000 1.970 178 L HA -0.066 4.283 4.340 0.016 0.000 0.212 178 L C 2.315 179.099 176.870 -0.143 0.000 1.071 178 L CA 1.967 56.703 54.840 -0.173 0.000 0.751 178 L CB -1.173 40.765 42.059 -0.201 0.000 0.889 178 L HN 0.307 nan 8.230 nan 0.000 0.432 179 L N 0.004 121.178 121.223 -0.083 0.000 1.997 179 L HA -0.197 4.152 4.340 0.016 0.000 0.216 179 L C -0.407 176.435 176.870 -0.047 0.000 1.074 179 L CA 2.452 57.261 54.840 -0.052 0.000 0.763 179 L CB -2.358 39.687 42.059 -0.024 0.000 0.890 179 L HN 0.277 nan 8.230 nan 0.000 0.434 180 P HA -0.132 nan 4.420 nan 0.000 0.226 180 P C 1.420 178.691 177.300 -0.049 0.000 1.153 180 P CA 1.293 64.372 63.100 -0.034 0.000 0.777 180 P CB 0.030 31.714 31.700 -0.026 0.000 0.794 181 K N -0.459 119.892 120.400 -0.082 0.000 2.044 181 K HA 0.071 4.400 4.320 0.016 0.000 0.204 181 K C 2.115 178.646 176.600 -0.115 0.000 1.049 181 K CA 0.826 57.046 56.287 -0.111 0.000 0.945 181 K CB -0.546 31.857 32.500 -0.161 0.000 0.724 181 K HN 0.131 nan 8.250 nan 0.000 0.440 182 L N 1.179 122.341 121.223 -0.101 0.000 2.083 182 L HA -0.206 4.143 4.340 0.016 0.000 0.209 182 L C 1.667 178.543 176.870 0.011 0.000 1.083 182 L CA 1.091 55.921 54.840 -0.016 0.000 0.752 182 L CB -0.369 41.688 42.059 -0.004 0.000 0.899 182 L HN 0.165 nan 8.230 nan 0.000 0.433 183 D N -0.386 120.008 120.400 -0.010 0.000 2.144 183 D HA -0.199 4.451 4.640 0.016 0.000 0.200 183 D C 2.055 178.354 176.300 -0.002 0.000 0.978 183 D CA 0.962 54.963 54.000 0.002 0.000 0.833 183 D CB 0.160 40.959 40.800 -0.000 0.000 0.961 183 D HN 0.348 nan 8.370 nan 0.000 0.470 184 E N -0.261 119.929 120.200 -0.017 0.000 2.028 184 E HA -0.131 4.228 4.350 0.016 0.000 0.190 184 E C 1.927 178.526 176.600 -0.001 0.000 0.984 184 E CA 0.336 56.731 56.400 -0.008 0.000 0.800 184 E CB -0.028 29.662 29.700 -0.015 0.000 0.758 184 E HN 0.009 nan 8.360 nan 0.000 0.448 185 L N 1.700 122.890 121.223 -0.056 0.000 2.081 185 L HA -0.204 4.145 4.340 0.016 0.000 0.212 185 L C 2.565 179.414 176.870 -0.035 0.000 1.080 185 L CA 1.738 56.518 54.840 -0.100 0.000 0.754 185 L CB -0.833 40.946 42.059 -0.467 0.000 0.893 185 L HN 0.156 nan 8.230 nan 0.000 0.433 186 R N -0.635 119.872 120.500 0.012 0.000 2.073 186 R HA -0.174 4.175 4.340 0.016 0.000 0.234 186 R C 1.931 178.225 176.300 -0.010 0.000 1.134 186 R CA 1.798 57.906 56.100 0.013 0.000 0.952 186 R CB -0.169 30.152 30.300 0.034 0.000 0.850 186 R HN 0.336 nan 8.270 nan 0.000 0.433 187 D N 0.279 120.687 120.400 0.012 0.000 2.097 187 D HA -0.153 4.496 4.640 0.016 0.000 0.195 187 D C 1.804 178.147 176.300 0.070 0.000 0.989 187 D CA 1.363 55.377 54.000 0.024 0.000 0.827 187 D CB -0.154 40.647 40.800 0.001 0.000 0.966 187 D HN 0.401 nan 8.370 nan 0.000 0.456 188 E N 0.076 120.343 120.200 0.112 0.000 2.051 188 E HA -0.101 4.258 4.350 0.016 0.000 0.192 188 E C 2.211 178.922 176.600 0.185 0.000 0.991 188 E CA 1.064 57.608 56.400 0.241 0.000 0.799 188 E CB -0.278 29.637 29.700 0.357 0.000 0.748 188 E HN 0.276 nan 8.360 nan 0.000 0.449 189 G N 1.392 110.112 108.800 -0.134 0.000 2.432 189 G HA2 -0.254 3.715 3.960 0.016 0.000 0.219 189 G HA3 -0.254 3.715 3.960 0.016 0.000 0.219 189 G C 1.503 176.259 174.900 -0.241 0.000 1.135 189 G CA 0.508 45.259 45.100 -0.582 0.000 0.767 189 G HN 0.075 nan 8.290 nan 0.000 0.550 190 K N 0.297 120.640 120.400 -0.095 0.000 2.116 190 K HA 0.151 4.480 4.320 0.016 0.000 0.203 190 K C 2.959 179.615 176.600 0.093 0.000 1.052 190 K CA 0.765 57.047 56.287 -0.007 0.000 0.952 190 K CB -0.102 32.409 32.500 0.020 0.000 0.729 190 K HN 0.258 nan 8.250 nan 0.000 0.446 191 A N 1.109 124.012 122.820 0.139 0.000 1.873 191 A HA -0.179 4.150 4.320 0.016 0.000 0.215 191 A C 2.227 179.942 177.584 0.218 0.000 1.186 191 A CA 2.086 54.242 52.037 0.198 0.000 0.616 191 A CB -0.750 18.425 19.000 0.293 0.000 0.823 191 A HN 0.304 nan 8.150 nan 0.000 0.442 192 S N -0.197 115.672 115.700 0.281 0.000 2.365 192 S HA -0.205 4.274 4.470 0.016 0.000 0.225 192 S C 2.357 177.171 174.600 0.357 0.000 1.039 192 S CA 2.374 60.790 58.200 0.359 0.000 1.033 192 S CB -0.578 62.982 63.200 0.599 0.000 0.887 192 S HN 0.748 nan 8.310 nan 0.000 0.447 193 S N 0.568 116.538 115.700 0.449 0.000 2.402 193 S HA 0.093 4.572 4.470 0.016 0.000 0.229 193 S C 1.989 176.744 174.600 0.258 0.000 1.021 193 S CA 1.278 59.748 58.200 0.450 0.000 0.974 193 S CB -0.694 62.703 63.200 0.329 0.000 0.800 193 S HN 0.724 nan 8.310 nan 0.000 0.484 194 A N 0.847 123.783 122.820 0.193 0.000 1.968 194 A HA 0.045 4.374 4.320 0.016 0.000 0.217 194 A C 2.272 179.915 177.584 0.099 0.000 1.169 194 A CA 1.286 53.404 52.037 0.134 0.000 0.638 194 A CB -0.655 18.414 19.000 0.115 0.000 0.812 194 A HN 0.488 nan 8.150 nan 0.000 0.446 195 K N -0.479 119.984 120.400 0.106 0.000 2.103 195 K HA -0.052 4.278 4.320 0.016 0.000 0.204 195 K C 2.307 178.933 176.600 0.042 0.000 1.052 195 K CA 1.494 57.817 56.287 0.060 0.000 0.945 195 K CB -0.455 32.088 32.500 0.071 0.000 0.722 195 K HN 0.808 nan 8.250 nan 0.000 0.443 196 Q N -0.563 119.281 119.800 0.073 0.000 2.016 196 Q HA -0.145 4.204 4.340 0.016 0.000 0.200 196 Q C 2.717 178.739 176.000 0.036 0.000 0.978 196 Q CA 2.101 57.937 55.803 0.055 0.000 0.833 196 Q CB -0.405 28.360 28.738 0.046 0.000 0.895 196 Q HN 0.510 nan 8.270 nan 0.000 0.427 197 R N 1.013 121.547 120.500 0.057 0.000 2.105 197 R HA -0.132 4.217 4.340 0.016 0.000 0.239 197 R C 2.047 178.342 176.300 -0.008 0.000 1.135 197 R CA 1.646 57.761 56.100 0.025 0.000 0.967 197 R CB -1.507 28.829 30.300 0.061 0.000 0.861 197 R HN 0.274 nan 8.270 nan 0.000 0.442 198 L N 0.519 121.740 121.223 -0.003 0.000 2.093 198 L HA -0.003 4.347 4.340 0.016 0.000 0.208 198 L C 2.171 178.995 176.870 -0.075 0.000 1.085 198 L CA 2.028 56.850 54.840 -0.030 0.000 0.755 198 L CB -0.312 41.728 42.059 -0.031 0.000 0.904 198 L HN 0.379 nan 8.230 nan 0.000 0.435 199 K N -1.462 118.879 120.400 -0.098 0.000 2.057 199 K HA -0.126 4.204 4.320 0.016 0.000 0.206 199 K C 2.095 178.611 176.600 -0.140 0.000 1.050 199 K CA 1.595 57.785 56.287 -0.161 0.000 0.935 199 K CB -0.362 32.041 32.500 -0.162 0.000 0.715 199 K HN 0.423 nan 8.250 nan 0.000 0.439 200 c N 0.465 119.007 118.600 -0.098 0.000 2.435 200 c HA -0.024 4.556 4.570 0.016 0.000 0.279 200 c C 2.802 176.835 174.090 -0.096 0.000 1.321 200 c CA 0.623 56.887 56.329 -0.109 0.000 1.752 200 c CB -0.831 41.618 42.510 -0.101 0.000 1.959 200 c HN 0.516 nan 8.230 nan 0.000 0.500 201 A N 1.032 123.811 122.820 -0.069 0.000 1.898 201 A HA -0.131 4.199 4.320 0.016 0.000 0.216 201 A C 2.245 179.825 177.584 -0.007 0.000 1.181 201 A CA 2.295 54.305 52.037 -0.045 0.000 0.620 201 A CB -0.672 18.315 19.000 -0.022 0.000 0.819 201 A HN 0.585 nan 8.150 nan 0.000 0.442 202 S N -0.309 115.413 115.700 0.037 0.000 2.371 202 S HA -0.085 4.395 4.470 0.016 0.000 0.224 202 S C 1.826 176.512 174.600 0.144 0.000 1.029 202 S CA 1.143 59.463 58.200 0.199 0.000 0.978 202 S CB -0.513 62.752 63.200 0.108 0.000 0.833 202 S HN 0.474 nan 8.310 nan 0.000 0.466 203 L N 1.652 122.865 121.223 -0.016 0.000 2.127 203 L HA -0.211 4.139 4.340 0.016 0.000 0.211 203 L C 2.768 179.608 176.870 -0.049 0.000 1.089 203 L CA 2.103 56.888 54.840 -0.091 0.000 0.757 203 L CB -0.635 41.245 42.059 -0.299 0.000 0.899 203 L HN 0.455 nan 8.230 nan 0.000 0.434 204 Q N -0.794 118.972 119.800 -0.057 0.000 2.259 204 Q HA -0.099 4.250 4.340 0.016 0.000 0.201 204 Q C 2.332 178.272 176.000 -0.101 0.000 0.938 204 Q CA 1.105 56.867 55.803 -0.069 0.000 0.872 204 Q CB -0.488 28.202 28.738 -0.079 0.000 0.971 204 Q HN 0.534 nan 8.270 nan 0.000 0.494 205 K N -1.047 119.264 120.400 -0.147 0.000 2.007 205 K HA 0.025 4.355 4.320 0.016 0.000 0.206 205 K C 1.536 177.837 176.600 -0.498 0.000 1.047 205 K CA 1.556 57.620 56.287 -0.373 0.000 0.937 205 K CB -0.047 32.129 32.500 -0.540 0.000 0.718 205 K HN 0.500 nan 8.250 nan 0.000 0.438 206 F N -0.214 119.725 119.950 -0.017 0.000 2.714 206 F HA 0.233 4.769 4.527 0.015 0.000 0.294 206 F C 1.034 176.845 175.800 0.019 0.000 1.120 206 F CA 0.401 58.402 58.000 0.002 0.000 1.398 206 F CB 0.668 39.670 39.000 0.004 0.000 1.120 206 F HN 0.174 nan 8.300 nan 0.000 0.589 207 G N 0.655 109.546 108.800 0.150 0.000 2.663 207 G HA2 -0.233 3.737 3.960 0.016 0.000 0.686 207 G HA3 -0.233 3.737 3.960 0.016 0.000 0.686 207 G C 0.333 175.320 174.900 0.145 0.000 1.288 207 G CA -0.146 45.021 45.100 0.110 0.000 0.836 207 G HN 0.236 nan 8.290 nan 0.000 0.584 208 E N -0.390 119.878 120.200 0.114 0.000 2.160 208 E HA -0.162 4.198 4.350 0.016 0.000 0.195 208 E C 2.457 179.178 176.600 0.202 0.000 0.991 208 E CA 1.438 57.929 56.400 0.152 0.000 0.810 208 E CB -0.066 29.697 29.700 0.103 0.000 0.742 208 E HN 0.502 nan 8.360 nan 0.000 0.466 209 R N -0.048 120.547 120.500 0.160 0.000 2.070 209 R HA -0.154 4.196 4.340 0.016 0.000 0.232 209 R C 2.286 178.685 176.300 0.164 0.000 1.138 209 R CA 1.403 57.593 56.100 0.150 0.000 0.936 209 R CB -0.429 29.945 30.300 0.125 0.000 0.839 209 R HN 0.237 nan 8.270 nan 0.000 0.429 210 A N 0.395 123.317 122.820 0.171 0.000 1.908 210 A HA -0.218 4.112 4.320 0.016 0.000 0.218 210 A C 2.018 179.711 177.584 0.181 0.000 1.181 210 A CA 1.454 53.578 52.037 0.146 0.000 0.627 210 A CB -0.807 18.270 19.000 0.127 0.000 0.818 210 A HN 0.517 nan 8.150 nan 0.000 0.445 211 F N 0.497 120.502 119.950 0.091 0.000 2.171 211 F HA -0.113 4.423 4.527 0.016 0.000 0.300 211 F C 2.082 178.002 175.800 0.200 0.000 1.090 211 F CA 2.063 60.132 58.000 0.115 0.000 1.293 211 F CB -0.137 38.892 39.000 0.049 0.000 1.013 211 F HN 0.125 nan 8.300 nan 0.000 0.486 212 K N -0.030 120.473 120.400 0.171 0.000 2.097 212 K HA -0.066 4.263 4.320 0.016 0.000 0.205 212 K C 2.291 178.890 176.600 -0.002 0.000 1.050 212 K CA 1.067 57.395 56.287 0.068 0.000 0.938 212 K CB -0.437 32.145 32.500 0.136 0.000 0.718 212 K HN 0.325 nan 8.250 nan 0.000 0.442 213 A N 0.342 123.194 122.820 0.053 0.000 1.930 213 A HA -0.185 4.145 4.320 0.016 0.000 0.217 213 A C 1.907 179.482 177.584 -0.015 0.000 1.175 213 A CA 1.207 53.269 52.037 0.041 0.000 0.627 213 A CB -0.785 18.261 19.000 0.077 0.000 0.815 213 A HN 0.604 nan 8.150 nan 0.000 0.443 214 W N 0.701 121.874 121.300 -0.211 0.000 2.379 214 W HA -0.060 4.608 4.660 0.013 0.000 0.307 214 W C 2.361 178.685 176.519 -0.325 0.000 1.200 214 W CA 2.045 59.227 57.345 -0.271 0.000 1.297 214 W CB -0.294 28.970 29.460 -0.327 0.000 1.140 214 W HN 0.309 nan 8.180 nan 0.000 0.507 215 A N -0.125 122.426 122.820 -0.450 0.000 2.019 215 A HA -0.139 4.190 4.320 0.016 0.000 0.219 215 A C 1.990 179.308 177.584 -0.444 0.000 1.164 215 A CA 2.052 53.722 52.037 -0.611 0.000 0.644 215 A CB -1.067 17.681 19.000 -0.420 0.000 0.805 215 A HN 0.233 nan 8.150 nan 0.000 0.449 216 V N -0.441 119.297 119.914 -0.293 0.000 2.283 216 V HA -0.187 3.942 4.120 0.016 0.000 0.243 216 V C 3.069 179.025 176.094 -0.229 0.000 1.039 216 V CA 1.852 64.034 62.300 -0.196 0.000 1.016 216 V CB -1.110 30.663 31.823 -0.083 0.000 0.650 216 V HN 0.598 nan 8.190 nan 0.000 0.449 217 A N 0.111 122.770 122.820 -0.268 0.000 1.908 217 A HA -0.295 4.034 4.320 0.016 0.000 0.218 217 A C 2.303 179.651 177.584 -0.393 0.000 1.181 217 A CA 2.363 54.231 52.037 -0.283 0.000 0.627 217 A CB -0.581 18.256 19.000 -0.272 0.000 0.818 217 A HN 0.507 nan 8.150 nan 0.000 0.445 218 R N -0.252 119.885 120.500 -0.604 0.000 2.080 218 R HA -0.043 4.306 4.340 0.016 0.000 0.236 218 R C 1.941 177.925 176.300 -0.526 0.000 1.137 218 R CA 1.783 57.471 56.100 -0.687 0.000 0.943 218 R CB -0.500 29.107 30.300 -1.155 0.000 0.846 218 R HN 0.499 nan 8.270 nan 0.000 0.431 219 L N 0.049 120.998 121.223 -0.457 0.000 2.217 219 L HA -0.065 4.284 4.340 0.016 0.000 0.211 219 L C 2.204 178.882 176.870 -0.321 0.000 1.107 219 L CA 1.053 55.658 54.840 -0.392 0.000 0.783 219 L CB -0.201 41.752 42.059 -0.178 0.000 0.919 219 L HN 0.255 nan 8.230 nan 0.000 0.442 220 S N -0.612 114.945 115.700 -0.238 0.000 2.402 220 S HA -0.174 4.305 4.470 0.016 0.000 0.229 220 S C 1.894 176.336 174.600 -0.263 0.000 1.021 220 S CA 0.973 59.052 58.200 -0.202 0.000 0.974 220 S CB -0.083 62.993 63.200 -0.207 0.000 0.800 220 S HN 0.465 nan 8.310 nan 0.000 0.484 221 Q N 0.578 120.200 119.800 -0.298 0.000 2.083 221 Q HA 0.048 4.397 4.340 0.016 0.000 0.198 221 Q C 2.445 178.271 176.000 -0.291 0.000 0.969 221 Q CA 0.824 56.462 55.803 -0.274 0.000 0.838 221 Q CB -0.042 28.538 28.738 -0.263 0.000 0.900 221 Q HN 0.403 nan 8.270 nan 0.000 0.436 222 R N -0.080 120.160 120.500 -0.434 0.000 2.062 222 R HA -0.033 4.316 4.340 0.016 0.000 0.229 222 R C 0.293 176.373 176.300 -0.367 0.000 1.128 222 R CA 0.832 56.606 56.100 -0.542 0.000 0.960 222 R CB 0.067 29.786 30.300 -0.970 0.000 0.855 222 R HN 0.163 nan 8.270 nan 0.000 0.432 223 F N 1.725 121.616 119.950 -0.098 0.000 2.366 223 F HA 0.326 4.863 4.527 0.017 0.000 0.328 223 F C -1.620 174.132 175.800 -0.080 0.000 1.180 223 F CA -3.379 54.579 58.000 -0.071 0.000 1.232 223 F CB 0.792 39.765 39.000 -0.044 0.000 1.513 223 F HN -0.087 nan 8.300 nan 0.000 0.540 224 P HA -0.098 nan 4.420 nan 0.000 0.234 224 P C 0.890 178.169 177.300 -0.036 0.000 1.167 224 P CA 1.089 64.135 63.100 -0.089 0.000 0.763 224 P CB 0.374 31.994 31.700 -0.134 0.000 0.835 225 K N -0.572 119.852 120.400 0.041 0.000 2.308 225 K HA 0.223 4.552 4.320 0.016 0.000 0.197 225 K C 1.261 177.917 176.600 0.094 0.000 1.049 225 K CA -0.053 56.263 56.287 0.048 0.000 0.991 225 K CB 0.079 32.596 32.500 0.028 0.000 0.836 225 K HN 0.044 nan 8.250 nan 0.000 0.500 226 A N 1.969 124.866 122.820 0.128 0.000 2.429 226 A HA 0.001 4.330 4.320 0.016 0.000 0.242 226 A C -0.239 177.486 177.584 0.234 0.000 1.088 226 A CA 0.124 52.241 52.037 0.134 0.000 0.784 226 A CB 0.157 19.231 19.000 0.123 0.000 1.038 226 A HN 0.189 nan 8.150 nan 0.000 0.501 227 E N -0.420 119.879 120.200 0.164 0.000 2.301 227 E HA 0.267 4.627 4.350 0.016 0.000 0.275 227 E C 0.225 176.853 176.600 0.046 0.000 1.030 227 E CA -0.399 56.095 56.400 0.157 0.000 0.852 227 E CB 0.716 30.472 29.700 0.094 0.000 1.060 227 E HN 0.590 nan 8.360 nan 0.000 0.401 228 F N 3.218 122.911 119.950 -0.428 0.000 2.184 228 F HA -0.300 4.236 4.527 0.015 0.000 0.301 228 F C 1.766 177.420 175.800 -0.245 0.000 1.076 228 F CA 2.017 59.590 58.000 -0.711 0.000 1.295 228 F CB 0.001 38.439 39.000 -0.936 0.000 1.026 228 F HN 0.576 nan 8.300 nan 0.000 0.494 229 A N -0.472 122.395 122.820 0.078 0.000 1.898 229 A HA -0.165 4.165 4.320 0.016 0.000 0.216 229 A C 2.076 179.651 177.584 -0.015 0.000 1.181 229 A CA 1.626 53.706 52.037 0.071 0.000 0.620 229 A CB -0.762 18.292 19.000 0.089 0.000 0.819 229 A HN 0.396 nan 8.150 nan 0.000 0.442 230 E N 0.050 120.250 120.200 0.001 0.000 2.051 230 E HA -0.108 4.251 4.350 0.016 0.000 0.192 230 E C 1.981 178.576 176.600 -0.007 0.000 0.991 230 E CA 1.446 57.861 56.400 0.027 0.000 0.799 230 E CB -0.498 29.229 29.700 0.045 0.000 0.748 230 E HN 0.257 nan 8.360 nan 0.000 0.449 231 V N 0.376 120.248 119.914 -0.069 0.000 2.407 231 V HA -0.250 3.879 4.120 0.016 0.000 0.248 231 V C 2.273 178.249 176.094 -0.197 0.000 1.055 231 V CA 1.961 64.203 62.300 -0.096 0.000 1.049 231 V CB -0.622 31.128 31.823 -0.122 0.000 0.662 231 V HN 0.203 nan 8.190 nan 0.000 0.455 232 S N -0.629 114.867 115.700 -0.341 0.000 2.382 232 S HA -0.195 4.284 4.470 0.016 0.000 0.228 232 S C 2.050 176.588 174.600 -0.104 0.000 1.027 232 S CA 1.211 59.254 58.200 -0.263 0.000 0.991 232 S CB -0.300 62.759 63.200 -0.236 0.000 0.823 232 S HN 0.471 nan 8.310 nan 0.000 0.469 233 K N 1.426 121.784 120.400 -0.071 0.000 2.032 233 K HA -0.050 4.279 4.320 0.016 0.000 0.209 233 K C 1.980 178.548 176.600 -0.053 0.000 1.048 233 K CA 1.244 57.498 56.287 -0.055 0.000 0.927 233 K CB -0.489 31.994 32.500 -0.029 0.000 0.712 233 K HN 0.358 nan 8.250 nan 0.000 0.441 234 L N 0.300 121.519 121.223 -0.006 0.000 2.072 234 L HA -0.128 4.221 4.340 0.016 0.000 0.205 234 L C 2.462 179.353 176.870 0.035 0.000 1.079 234 L CA 0.496 55.359 54.840 0.038 0.000 0.752 234 L CB -0.371 41.753 42.059 0.109 0.000 0.906 234 L HN -0.102 nan 8.230 nan 0.000 0.436 235 V N -0.494 119.419 119.914 -0.002 0.000 2.594 235 V HA -0.264 3.865 4.120 0.016 0.000 0.253 235 V C 2.504 178.635 176.094 0.062 0.000 1.069 235 V CA 2.116 64.421 62.300 0.007 0.000 1.082 235 V CB -0.539 31.250 31.823 -0.057 0.000 0.680 235 V HN 0.483 nan 8.190 nan 0.000 0.469 236 T N -0.404 114.169 114.554 0.031 0.000 2.732 236 T HA -0.140 4.219 4.350 0.016 0.000 0.261 236 T C 1.643 176.376 174.700 0.054 0.000 1.040 236 T CA 1.604 63.730 62.100 0.044 0.000 1.145 236 T CB -0.299 68.573 68.868 0.006 0.000 0.866 236 T HN 0.484 nan 8.240 nan 0.000 0.427 237 D N 1.375 121.785 120.400 0.018 0.000 2.092 237 D HA -0.052 4.597 4.640 0.016 0.000 0.193 237 D C 2.142 178.487 176.300 0.075 0.000 0.994 237 D CA 0.547 54.554 54.000 0.012 0.000 0.828 237 D CB -0.685 40.091 40.800 -0.040 0.000 0.963 237 D HN 0.177 nan 8.370 nan 0.000 0.450 238 L N 0.829 122.126 121.223 0.122 0.000 1.997 238 L HA -0.246 4.103 4.340 0.016 0.000 0.216 238 L C 2.128 179.216 176.870 0.362 0.000 1.074 238 L CA 1.761 56.735 54.840 0.224 0.000 0.763 238 L CB -0.602 41.602 42.059 0.242 0.000 0.890 238 L HN 0.119 nan 8.230 nan 0.000 0.434 239 T N -0.884 113.901 114.554 0.384 0.000 2.833 239 T HA -0.238 4.122 4.350 0.016 0.000 0.269 239 T C 1.759 176.556 174.700 0.162 0.000 1.054 239 T CA 1.709 64.067 62.100 0.430 0.000 1.135 239 T CB -0.116 68.992 68.868 0.400 0.000 0.869 239 T HN 0.349 nan 8.240 nan 0.000 0.466 240 K N 0.951 121.417 120.400 0.109 0.000 2.155 240 K HA -0.012 4.318 4.320 0.016 0.000 0.203 240 K C 2.069 178.675 176.600 0.010 0.000 1.052 240 K CA 0.764 57.074 56.287 0.038 0.000 0.948 240 K CB -0.222 32.290 32.500 0.020 0.000 0.728 240 K HN 0.121 nan 8.250 nan 0.000 0.448 241 V N 1.270 121.193 119.914 0.015 0.000 2.307 241 V HA -0.216 3.913 4.120 0.016 0.000 0.245 241 V C 2.290 178.293 176.094 -0.150 0.000 1.045 241 V CA 1.726 63.980 62.300 -0.077 0.000 1.024 241 V CB -0.591 31.163 31.823 -0.115 0.000 0.651 241 V HN 0.470 nan 8.190 nan 0.000 0.449 242 H N -0.291 118.748 119.070 -0.052 0.000 2.389 242 H HA -0.111 4.455 4.556 0.017 0.000 0.299 242 H C 2.481 177.713 175.328 -0.159 0.000 1.081 242 H CA 1.906 57.876 56.048 -0.131 0.000 1.345 242 H CB -0.291 29.327 29.762 -0.240 0.000 1.393 242 H HN 0.392 nan 8.280 nan 0.000 0.520 243 T N 1.116 115.641 114.554 -0.049 0.000 2.622 243 T HA -0.147 4.212 4.350 0.016 0.000 0.266 243 T C 1.874 176.570 174.700 -0.007 0.000 1.047 243 T CA 1.495 63.562 62.100 -0.056 0.000 1.159 243 T CB -0.091 68.747 68.868 -0.050 0.000 0.863 243 T HN 0.516 nan 8.240 nan 0.000 0.422 244 E N 0.139 120.331 120.200 -0.013 0.000 2.072 244 E HA -0.105 4.255 4.350 0.016 0.000 0.191 244 E C 2.590 179.223 176.600 0.055 0.000 0.985 244 E CA 1.122 57.532 56.400 0.016 0.000 0.801 244 E CB -0.344 29.350 29.700 -0.009 0.000 0.750 244 E HN 0.494 nan 8.360 nan 0.000 0.452 245 c N 0.641 119.229 118.600 -0.019 0.000 2.446 245 c HA -0.119 4.460 4.570 0.016 0.000 0.277 245 c C 3.004 177.114 174.090 0.034 0.000 1.275 245 c CA 0.116 56.426 56.329 -0.031 0.000 1.727 245 c CB -0.900 41.498 42.510 -0.187 0.000 2.010 245 c HN 0.574 nan 8.230 nan 0.000 0.486 246 c N -0.598 118.011 118.600 0.015 0.000 2.425 246 c HA -0.156 4.423 4.570 0.016 0.000 0.277 246 c C 2.745 176.848 174.090 0.021 0.000 1.280 246 c CA 1.148 57.475 56.329 -0.003 0.000 1.744 246 c CB -1.804 40.682 42.510 -0.039 0.000 1.989 246 c HN 0.694 nan 8.230 nan 0.000 0.491 247 H N 0.118 119.183 119.070 -0.009 0.000 2.387 247 H HA -0.080 4.485 4.556 0.015 0.000 0.299 247 H C 1.993 177.378 175.328 0.095 0.000 1.099 247 H CA 2.124 58.185 56.048 0.022 0.000 1.315 247 H CB -0.125 29.655 29.762 0.030 0.000 1.380 247 H HN 0.563 nan 8.280 nan 0.000 0.513 248 G N 0.170 109.079 108.800 0.182 0.000 2.380 248 G HA2 -0.206 3.763 3.960 0.016 0.000 0.197 248 G HA3 -0.206 3.763 3.960 0.016 0.000 0.197 248 G C -0.073 174.964 174.900 0.228 0.000 1.001 248 G CA 0.176 45.409 45.100 0.221 0.000 0.668 248 G HN 0.487 nan 8.290 nan 0.000 0.483 249 D N 1.297 121.875 120.400 0.297 0.000 2.346 249 D HA 0.273 4.922 4.640 0.016 0.000 0.260 249 D C 1.663 178.075 176.300 0.187 0.000 1.252 249 D CA -0.142 54.023 54.000 0.275 0.000 0.895 249 D CB 1.269 42.262 40.800 0.323 0.000 1.097 249 D HN 0.192 nan 8.370 nan 0.000 0.489 250 L N 5.371 126.675 121.223 0.135 0.000 2.056 250 L HA -0.087 4.262 4.340 0.016 0.000 0.207 250 L C 2.043 178.970 176.870 0.095 0.000 1.078 250 L CA 1.308 56.217 54.840 0.115 0.000 0.749 250 L CB -0.187 41.888 42.059 0.027 0.000 0.901 250 L HN 0.505 nan 8.230 nan 0.000 0.433 251 L N -0.615 120.625 121.223 0.029 0.000 1.994 251 L HA -0.167 4.182 4.340 0.016 0.000 0.208 251 L C 2.752 179.699 176.870 0.128 0.000 1.071 251 L CA 1.172 56.043 54.840 0.052 0.000 0.745 251 L CB -0.645 41.420 42.059 0.010 0.000 0.892 251 L HN 0.301 nan 8.230 nan 0.000 0.431 252 E N -0.570 119.730 120.200 0.166 0.000 2.038 252 E HA -0.276 4.083 4.350 0.016 0.000 0.195 252 E C 2.235 178.883 176.600 0.081 0.000 1.000 252 E CA 1.618 58.092 56.400 0.123 0.000 0.803 252 E CB -1.070 28.698 29.700 0.113 0.000 0.750 252 E HN 0.538 nan 8.360 nan 0.000 0.448 253 c N 1.173 119.821 118.600 0.081 0.000 2.413 253 c HA -0.043 4.536 4.570 0.016 0.000 0.277 253 c C 2.842 176.952 174.090 0.034 0.000 1.265 253 c CA 1.350 57.690 56.329 0.018 0.000 1.752 253 c CB -1.040 41.475 42.510 0.008 0.000 1.998 253 c HN 0.447 nan 8.230 nan 0.000 0.489 254 A N 0.384 123.295 122.820 0.152 0.000 1.877 254 A HA -0.147 4.182 4.320 0.016 0.000 0.216 254 A C 1.975 179.635 177.584 0.127 0.000 1.186 254 A CA 2.197 54.363 52.037 0.214 0.000 0.620 254 A CB -0.782 18.328 19.000 0.183 0.000 0.822 254 A HN 0.649 nan 8.150 nan 0.000 0.443 255 D N 0.136 120.596 120.400 0.100 0.000 2.097 255 D HA -0.120 4.529 4.640 0.016 0.000 0.197 255 D C 1.404 177.741 176.300 0.061 0.000 0.984 255 D CA 1.391 55.444 54.000 0.088 0.000 0.826 255 D CB -0.517 40.339 40.800 0.093 0.000 0.973 255 D HN 0.335 nan 8.370 nan 0.000 0.460 256 D N 0.523 120.945 120.400 0.037 0.000 2.172 256 D HA -0.148 4.501 4.640 0.016 0.000 0.196 256 D C 2.140 178.442 176.300 0.002 0.000 0.999 256 D CA 0.807 54.813 54.000 0.010 0.000 0.856 256 D CB -0.125 40.666 40.800 -0.015 0.000 0.934 256 D HN 0.226 nan 8.370 nan 0.000 0.453 257 R N 0.283 120.777 120.500 -0.009 0.000 2.090 257 R HA 0.065 4.414 4.340 0.016 0.000 0.228 257 R C 2.258 178.583 176.300 0.040 0.000 1.110 257 R CA 0.950 57.042 56.100 -0.014 0.000 0.973 257 R CB -0.164 30.102 30.300 -0.056 0.000 0.869 257 R HN 0.104 nan 8.270 nan 0.000 0.440 258 A N 1.787 124.646 122.820 0.065 0.000 1.845 258 A HA -0.207 4.122 4.320 0.016 0.000 0.215 258 A C 1.643 179.272 177.584 0.075 0.000 1.195 258 A CA 1.738 53.821 52.037 0.078 0.000 0.616 258 A CB -0.545 18.510 19.000 0.090 0.000 0.832 258 A HN 0.149 nan 8.150 nan 0.000 0.443 259 D N -0.352 120.091 120.400 0.072 0.000 2.127 259 D HA -0.187 4.462 4.640 0.016 0.000 0.190 259 D C 1.859 178.216 176.300 0.095 0.000 1.000 259 D CA 1.792 55.837 54.000 0.076 0.000 0.839 259 D CB -0.613 40.219 40.800 0.054 0.000 0.955 259 D HN 0.327 nan 8.370 nan 0.000 0.446 260 L N 0.658 121.926 121.223 0.075 0.000 2.187 260 L HA -0.124 4.225 4.340 0.016 0.000 0.213 260 L C 2.011 178.961 176.870 0.133 0.000 1.100 260 L CA 1.761 56.664 54.840 0.104 0.000 0.765 260 L CB -0.531 41.565 42.059 0.061 0.000 0.904 260 L HN -0.021 nan 8.230 nan 0.000 0.437 261 A N -0.436 122.438 122.820 0.090 0.000 1.897 261 A HA -0.170 4.160 4.320 0.016 0.000 0.215 261 A C 2.423 180.041 177.584 0.057 0.000 1.181 261 A CA 1.526 53.604 52.037 0.068 0.000 0.620 261 A CB -0.560 18.474 19.000 0.057 0.000 0.821 261 A HN 0.532 nan 8.150 nan 0.000 0.443 262 K N -1.324 119.120 120.400 0.074 0.000 2.002 262 K HA -0.232 4.097 4.320 0.016 0.000 0.209 262 K C 1.979 178.606 176.600 0.044 0.000 1.048 262 K CA 1.873 58.194 56.287 0.056 0.000 0.930 262 K CB -0.600 31.945 32.500 0.075 0.000 0.714 262 K HN 0.408 nan 8.250 nan 0.000 0.438 263 Y N 2.073 122.369 120.300 -0.007 0.000 2.040 263 Y HA -0.290 4.269 4.550 0.015 0.000 0.275 263 Y C 2.060 177.936 175.900 -0.040 0.000 1.171 263 Y CA 2.218 60.307 58.100 -0.018 0.000 1.123 263 Y CB -0.508 37.944 38.460 -0.014 0.000 0.963 263 Y HN 0.086 nan 8.280 nan 0.000 0.493 264 I N -0.851 119.645 120.570 -0.123 0.000 2.248 264 I HA -0.444 3.735 4.170 0.016 0.000 0.248 264 I C 2.521 178.479 176.117 -0.264 0.000 1.107 264 I CA 1.566 62.724 61.300 -0.236 0.000 1.373 264 I CB -0.645 37.310 38.000 -0.075 0.000 1.055 264 I HN 0.441 nan 8.210 nan 0.000 0.418 265 c N 0.435 118.937 118.600 -0.163 0.000 2.466 265 c HA -0.104 4.476 4.570 0.016 0.000 0.278 265 c C 2.620 176.618 174.090 -0.152 0.000 1.288 265 c CA 0.593 56.844 56.329 -0.130 0.000 1.722 265 c CB -0.887 41.585 42.510 -0.064 0.000 2.017 265 c HN 0.484 nan 8.230 nan 0.000 0.488 266 E N 0.816 120.916 120.200 -0.167 0.000 2.110 266 E HA -0.139 4.220 4.350 0.016 0.000 0.193 266 E C 1.023 177.503 176.600 -0.201 0.000 0.988 266 E CA 0.974 57.282 56.400 -0.152 0.000 0.804 266 E CB -0.224 29.400 29.700 -0.126 0.000 0.745 266 E HN 0.711 nan 8.360 nan 0.000 0.458 267 N N 0.982 119.483 118.700 -0.332 0.000 2.327 267 N HA 0.032 4.781 4.740 0.016 0.000 0.231 267 N C 0.778 176.126 175.510 -0.269 0.000 1.130 267 N CA -0.211 52.647 53.050 -0.320 0.000 0.845 267 N CB 0.405 38.599 38.487 -0.489 0.000 1.073 267 N HN 0.207 nan 8.380 nan 0.000 0.496 268 Q N 1.380 121.048 119.800 -0.219 0.000 2.012 268 Q HA -0.236 4.113 4.340 0.016 0.000 0.211 268 Q C 0.966 176.867 176.000 -0.166 0.000 1.009 268 Q CA 1.767 57.457 55.803 -0.189 0.000 0.866 268 Q CB -0.036 28.624 28.738 -0.130 0.000 0.945 268 Q HN 0.444 nan 8.270 nan 0.000 0.414 269 D N -0.292 120.036 120.400 -0.120 0.000 2.203 269 D HA -0.137 4.513 4.640 0.016 0.000 0.199 269 D C 1.833 178.080 176.300 -0.089 0.000 0.997 269 D CA 1.225 55.172 54.000 -0.088 0.000 0.863 269 D CB -0.192 40.569 40.800 -0.065 0.000 0.928 269 D HN 0.122 nan 8.370 nan 0.000 0.458 270 S N -0.385 115.248 115.700 -0.112 0.000 2.489 270 S HA 0.023 4.502 4.470 0.016 0.000 0.228 270 S C 1.968 176.498 174.600 -0.116 0.000 0.995 270 S CA 0.234 58.378 58.200 -0.093 0.000 0.934 270 S CB 0.314 63.456 63.200 -0.097 0.000 0.771 270 S HN 0.212 nan 8.310 nan 0.000 0.522 271 I N -1.000 119.448 120.570 -0.204 0.000 3.341 271 I HA 0.207 4.386 4.170 0.016 0.000 0.243 271 I C 0.836 176.795 176.117 -0.263 0.000 1.094 271 I CA 0.184 61.283 61.300 -0.336 0.000 1.507 271 I CB 0.262 37.883 38.000 -0.632 0.000 1.441 271 I HN 0.101 nan 8.210 nan 0.000 0.465 272 S N -1.134 114.426 115.700 -0.234 0.000 2.588 272 S HA 0.301 4.781 4.470 0.016 0.000 0.269 272 S C 0.409 174.980 174.600 -0.049 0.000 1.157 272 S CA -0.034 58.132 58.200 -0.057 0.000 0.824 272 S CB 1.263 64.524 63.200 0.100 0.000 1.126 272 S HN 0.218 nan 8.310 nan 0.000 0.464 273 S N 1.743 117.439 115.700 -0.007 0.000 2.458 273 S HA 0.135 4.615 4.470 0.016 0.000 0.223 273 S C 1.000 175.596 174.600 -0.006 0.000 1.019 273 S CA -0.052 58.140 58.200 -0.015 0.000 0.937 273 S CB -0.351 62.843 63.200 -0.009 0.000 0.788 273 S HN 0.715 nan 8.310 nan 0.000 0.511 274 K N 1.445 121.855 120.400 0.016 0.000 2.505 274 K HA 0.254 4.583 4.320 0.016 0.000 0.192 274 K C 0.685 177.297 176.600 0.020 0.000 1.025 274 K CA 0.119 56.418 56.287 0.020 0.000 1.086 274 K CB -0.368 32.152 32.500 0.033 0.000 0.840 274 K HN 0.420 nan 8.250 nan 0.000 0.514 275 L N 0.926 122.150 121.223 0.002 0.000 2.645 275 L HA -0.026 4.324 4.340 0.016 0.000 0.235 275 L C 2.569 179.429 176.870 -0.017 0.000 1.150 275 L CA 0.123 54.956 54.840 -0.011 0.000 0.911 275 L CB -0.916 41.106 42.059 -0.061 0.000 1.077 275 L HN 0.158 nan 8.230 nan 0.000 0.438 276 K N 0.931 121.324 120.400 -0.012 0.000 1.988 276 K HA -0.275 4.054 4.320 0.016 0.000 0.221 276 K C 2.226 178.823 176.600 -0.005 0.000 1.053 276 K CA 2.371 58.651 56.287 -0.011 0.000 0.959 276 K CB -1.382 31.114 32.500 -0.007 0.000 0.728 276 K HN 0.463 nan 8.250 nan 0.000 0.447 277 E N 0.104 120.306 120.200 0.003 0.000 2.017 277 E HA -0.164 4.196 4.350 0.016 0.000 0.193 277 E C 2.411 179.017 176.600 0.010 0.000 0.997 277 E CA 1.660 58.065 56.400 0.009 0.000 0.804 277 E CB -1.505 28.203 29.700 0.014 0.000 0.757 277 E HN 0.717 nan 8.360 nan 0.000 0.448 278 c N -0.131 118.475 118.600 0.010 0.000 2.396 278 c HA -0.190 4.389 4.570 0.016 0.000 0.279 278 c C 2.835 176.930 174.090 0.009 0.000 1.229 278 c CA 0.977 57.314 56.329 0.012 0.000 1.801 278 c CB -1.326 41.189 42.510 0.009 0.000 2.050 278 c HN 0.798 nan 8.230 nan 0.000 0.491 279 c N -0.061 118.537 118.600 -0.002 0.000 2.539 279 c HA 0.117 4.696 4.570 0.016 0.000 0.268 279 c C 2.833 176.922 174.090 -0.002 0.000 1.395 279 c CA 1.274 57.598 56.329 -0.008 0.000 1.757 279 c CB -1.489 41.005 42.510 -0.027 0.000 1.851 279 c HN 0.810 nan 8.230 nan 0.000 0.545 280 E N 0.768 120.970 120.200 0.003 0.000 2.216 280 E HA 0.033 4.392 4.350 0.016 0.000 0.192 280 E C 0.967 177.575 176.600 0.014 0.000 0.973 280 E CA 0.210 56.614 56.400 0.007 0.000 0.851 280 E CB -0.206 29.497 29.700 0.006 0.000 0.804 280 E HN 0.633 nan 8.360 nan 0.000 0.477 281 K N 1.102 121.513 120.400 0.018 0.000 2.402 281 K HA 0.129 4.458 4.320 0.016 0.000 0.265 281 K C -2.247 174.368 176.600 0.025 0.000 0.978 281 K CA -1.091 55.211 56.287 0.026 0.000 0.913 281 K CB 0.069 32.590 32.500 0.034 0.000 0.954 281 K HN 0.170 nan 8.250 nan 0.000 0.511 282 P HA -0.005 nan 4.420 nan 0.000 0.274 282 P C 0.838 178.154 177.300 0.026 0.000 1.231 282 P CA -0.309 62.805 63.100 0.022 0.000 0.790 282 P CB 0.400 32.110 31.700 0.017 0.000 0.951 283 L N 2.028 123.265 121.223 0.023 0.000 2.085 283 L HA -0.245 4.104 4.340 0.016 0.000 0.218 283 L C 1.760 178.651 176.870 0.036 0.000 1.080 283 L CA 2.040 56.898 54.840 0.030 0.000 0.776 283 L CB -0.968 41.103 42.059 0.021 0.000 0.891 283 L HN 0.223 nan 8.230 nan 0.000 0.437 284 L N -0.626 120.612 121.223 0.025 0.000 2.291 284 L HA -0.084 4.265 4.340 0.016 0.000 0.214 284 L C 2.214 179.108 176.870 0.040 0.000 1.120 284 L CA 1.646 56.501 54.840 0.025 0.000 0.799 284 L CB -0.268 41.795 42.059 0.007 0.000 0.925 284 L HN 0.406 nan 8.230 nan 0.000 0.446 285 E N -1.817 118.411 120.200 0.047 0.000 2.413 285 E HA -0.048 4.311 4.350 0.016 0.000 0.203 285 E C 1.773 178.416 176.600 0.072 0.000 0.957 285 E CA -0.143 56.293 56.400 0.061 0.000 0.950 285 E CB 0.322 30.060 29.700 0.063 0.000 0.957 285 E HN 0.293 nan 8.360 nan 0.000 0.497 286 K N 0.943 121.377 120.400 0.057 0.000 1.988 286 K HA -0.236 4.093 4.320 0.016 0.000 0.221 286 K C 2.336 178.965 176.600 0.047 0.000 1.053 286 K CA 2.300 58.615 56.287 0.046 0.000 0.959 286 K CB -0.199 32.326 32.500 0.041 0.000 0.728 286 K HN 0.096 nan 8.250 nan 0.000 0.447 287 S N -0.008 115.729 115.700 0.063 0.000 2.365 287 S HA -0.278 4.202 4.470 0.016 0.000 0.225 287 S C 1.996 176.615 174.600 0.031 0.000 1.039 287 S CA 1.928 60.161 58.200 0.054 0.000 1.033 287 S CB -0.854 62.390 63.200 0.072 0.000 0.887 287 S HN 0.479 nan 8.310 nan 0.000 0.447 288 H N 0.661 119.712 119.070 -0.033 0.000 2.352 288 H HA -0.063 4.503 4.556 0.016 0.000 0.299 288 H C 2.511 177.769 175.328 -0.117 0.000 1.097 288 H CA 1.737 57.718 56.048 -0.111 0.000 1.311 288 H CB -0.985 28.643 29.762 -0.223 0.000 1.377 288 H HN 0.546 nan 8.280 nan 0.000 0.504 289 c N -0.024 118.542 118.600 -0.058 0.000 2.413 289 c HA -0.145 4.434 4.570 0.016 0.000 0.278 289 c C 2.817 176.854 174.090 -0.088 0.000 1.224 289 c CA 1.337 57.625 56.329 -0.067 0.000 1.732 289 c CB -1.369 41.148 42.510 0.011 0.000 2.050 289 c HN 0.704 nan 8.230 nan 0.000 0.463 290 I N 1.592 122.141 120.570 -0.036 0.000 2.194 290 I HA -0.244 3.935 4.170 0.016 0.000 0.246 290 I C 2.824 178.932 176.117 -0.016 0.000 1.093 290 I CA 1.866 63.170 61.300 0.007 0.000 1.355 290 I CB -0.643 37.381 38.000 0.040 0.000 1.046 290 I HN 0.458 nan 8.210 nan 0.000 0.413 291 A N -0.198 122.573 122.820 -0.082 0.000 2.024 291 A HA -0.263 4.067 4.320 0.016 0.000 0.220 291 A C 2.249 179.740 177.584 -0.156 0.000 1.164 291 A CA 2.057 54.029 52.037 -0.109 0.000 0.643 291 A CB -0.507 18.402 19.000 -0.152 0.000 0.806 291 A HN 0.527 nan 8.150 nan 0.000 0.451 292 E N -1.098 118.975 120.200 -0.211 0.000 2.415 292 E HA 0.182 4.542 4.350 0.016 0.000 0.197 292 E C 0.411 176.950 176.600 -0.101 0.000 1.007 292 E CA -0.210 56.083 56.400 -0.179 0.000 0.890 292 E CB 0.194 29.750 29.700 -0.240 0.000 0.891 292 E HN 0.265 nan 8.360 nan 0.000 0.496 293 V N 1.826 121.699 119.914 -0.068 0.000 3.103 293 V HA -0.109 4.020 4.120 0.016 0.000 0.292 293 V C 0.233 176.303 176.094 -0.040 0.000 1.269 293 V CA 1.426 63.713 62.300 -0.023 0.000 1.370 293 V CB 0.587 32.436 31.823 0.043 0.000 0.945 293 V HN 0.410 nan 8.190 nan 0.000 0.521 294 E N 4.393 124.581 120.200 -0.021 0.000 2.318 294 E HA 0.365 4.724 4.350 0.016 0.000 0.265 294 E C -0.009 176.566 176.600 -0.043 0.000 1.069 294 E CA -0.727 55.652 56.400 -0.035 0.000 0.893 294 E CB 0.255 29.945 29.700 -0.017 0.000 1.076 294 E HN 0.834 nan 8.360 nan 0.000 0.414 295 N N 2.320 120.977 118.700 -0.072 0.000 2.440 295 N HA 0.064 4.813 4.740 0.016 0.000 0.265 295 N C -0.448 175.037 175.510 -0.041 0.000 1.239 295 N CA -0.066 52.930 53.050 -0.089 0.000 0.909 295 N CB 0.712 39.133 38.487 -0.110 0.000 1.066 295 N HN 0.683 nan 8.380 nan 0.000 0.474 296 D N 1.223 121.620 120.400 -0.005 0.000 2.361 296 D HA -0.020 4.629 4.640 0.016 0.000 0.239 296 D C -0.121 176.164 176.300 -0.024 0.000 1.200 296 D CA 0.129 54.139 54.000 0.016 0.000 0.915 296 D CB 0.708 41.551 40.800 0.071 0.000 1.170 296 D HN 0.326 nan 8.370 nan 0.000 0.444 297 E N 0.868 121.053 120.200 -0.025 0.000 2.338 297 E HA 0.102 4.461 4.350 0.016 0.000 0.272 297 E C 0.018 176.586 176.600 -0.054 0.000 1.029 297 E CA -0.216 56.157 56.400 -0.044 0.000 0.872 297 E CB 0.924 30.602 29.700 -0.037 0.000 1.015 297 E HN 0.427 nan 8.360 nan 0.000 0.417 298 M N 2.226 121.777 119.600 -0.082 0.000 2.162 298 M HA 0.363 4.852 4.480 0.016 0.000 0.356 298 M C -2.319 173.930 176.300 -0.084 0.000 1.303 298 M CA -1.751 53.489 55.300 -0.099 0.000 1.116 298 M CB 0.215 32.726 32.600 -0.148 0.000 1.632 298 M HN -0.033 nan 8.290 nan 0.000 0.469 299 P HA -0.074 nan 4.420 nan 0.000 0.263 299 P C 0.194 177.457 177.300 -0.061 0.000 1.162 299 P CA 0.408 63.477 63.100 -0.052 0.000 0.758 299 P CB 0.445 32.123 31.700 -0.037 0.000 0.773 300 A N 2.406 125.197 122.820 -0.049 0.000 1.873 300 A HA 0.060 4.389 4.320 0.016 0.000 0.215 300 A C 1.279 178.834 177.584 -0.048 0.000 1.186 300 A CA 1.800 53.806 52.037 -0.051 0.000 0.616 300 A CB -1.347 17.630 19.000 -0.040 0.000 0.823 300 A HN 0.636 nan 8.150 nan 0.000 0.442 301 D N 0.354 120.733 120.400 -0.035 0.000 2.443 301 D HA 0.557 5.206 4.640 0.016 0.000 0.221 301 D C -0.603 175.683 176.300 -0.024 0.000 1.097 301 D CA -0.283 53.700 54.000 -0.028 0.000 0.865 301 D CB -0.261 40.528 40.800 -0.018 0.000 1.034 301 D HN 0.570 nan 8.370 nan 0.000 0.511 302 L N 0.016 121.220 121.223 -0.031 0.000 2.455 302 L HA 0.772 5.121 4.340 0.016 0.000 0.264 302 L C -2.124 174.736 176.870 -0.016 0.000 0.968 302 L CA -1.839 52.987 54.840 -0.023 0.000 0.827 302 L CB 0.862 42.896 42.059 -0.042 0.000 1.317 302 L HN 0.186 nan 8.230 nan 0.000 0.407 303 P HA 0.061 nan 4.420 nan 0.000 0.279 303 P C -0.300 177.012 177.300 0.019 0.000 1.278 303 P CA -0.399 62.713 63.100 0.020 0.000 0.846 303 P CB 0.269 31.993 31.700 0.041 0.000 1.218 304 S N -2.076 113.653 115.700 0.049 0.000 2.704 304 S HA 0.378 4.857 4.470 0.016 0.000 0.305 304 S C 0.990 175.676 174.600 0.144 0.000 1.107 304 S CA -0.814 57.426 58.200 0.067 0.000 0.993 304 S CB 0.354 63.603 63.200 0.081 0.000 1.110 304 S HN 0.319 nan 8.310 nan 0.000 0.534 305 L N 2.089 123.434 121.223 0.203 0.000 2.127 305 L HA 0.180 4.530 4.340 0.016 0.000 0.203 305 L C 2.867 180.042 176.870 0.509 0.000 1.080 305 L CA 1.087 56.164 54.840 0.395 0.000 0.768 305 L CB -0.890 41.313 42.059 0.239 0.000 0.924 305 L HN 0.854 nan 8.230 nan 0.000 0.444 306 A N 0.560 123.620 122.820 0.400 0.000 2.042 306 A HA -0.256 4.073 4.320 0.016 0.000 0.222 306 A C 2.489 180.107 177.584 0.056 0.000 1.167 306 A CA 1.887 53.922 52.037 -0.003 0.000 0.649 306 A CB -0.623 18.341 19.000 -0.060 0.000 0.809 306 A HN 0.430 nan 8.150 nan 0.000 0.457 307 A N -0.126 122.761 122.820 0.111 0.000 1.834 307 A HA -0.222 4.108 4.320 0.016 0.000 0.216 307 A C 1.897 179.499 177.584 0.030 0.000 1.203 307 A CA 1.753 53.828 52.037 0.063 0.000 0.621 307 A CB -0.688 18.349 19.000 0.062 0.000 0.841 307 A HN 0.520 nan 8.150 nan 0.000 0.446 308 D N -1.890 118.515 120.400 0.009 0.000 2.269 308 D HA -0.003 4.646 4.640 0.016 0.000 0.208 308 D C 0.932 176.938 176.300 -0.490 0.000 0.963 308 D CA 1.066 54.903 54.000 -0.272 0.000 0.864 308 D CB 0.016 40.534 40.800 -0.470 0.000 0.936 308 D HN 0.510 nan 8.370 nan 0.000 0.505 309 F N -0.879 119.158 119.950 0.144 0.000 2.746 309 F HA 0.099 4.635 4.527 0.016 0.000 0.313 309 F C 1.786 177.615 175.800 0.047 0.000 1.095 309 F CA -0.088 58.015 58.000 0.173 0.000 1.224 309 F CB 0.418 39.532 39.000 0.191 0.000 1.060 309 F HN -0.223 nan 8.300 nan 0.000 0.584 310 V N -0.865 119.095 119.914 0.077 0.000 2.840 310 V HA 0.043 4.173 4.120 0.016 0.000 0.234 310 V C 1.793 177.987 176.094 0.168 0.000 1.159 310 V CA 0.908 63.206 62.300 -0.004 0.000 1.194 310 V CB -0.072 31.510 31.823 -0.401 0.000 0.971 310 V HN 0.021 nan 8.190 nan 0.000 0.494 311 E N 0.551 120.796 120.200 0.074 0.000 2.021 311 E HA -0.017 4.343 4.350 0.016 0.000 0.189 311 E C 1.161 177.834 176.600 0.121 0.000 0.980 311 E CA 0.776 57.223 56.400 0.078 0.000 0.803 311 E CB -0.155 29.560 29.700 0.026 0.000 0.766 311 E HN 0.345 nan 8.360 nan 0.000 0.449 312 S N 0.437 116.187 115.700 0.084 0.000 2.952 312 S HA -0.090 4.389 4.470 0.016 0.000 0.351 312 S C 0.094 174.766 174.600 0.121 0.000 1.211 312 S CA 0.868 59.107 58.200 0.065 0.000 1.002 312 S CB 0.109 63.318 63.200 0.015 0.000 0.702 312 S HN 0.295 nan 8.310 nan 0.000 0.495 313 K N 2.783 123.229 120.400 0.077 0.000 2.598 313 K HA 0.386 4.716 4.320 0.016 0.000 0.226 313 K C -0.169 176.458 176.600 0.046 0.000 1.156 313 K CA -0.360 55.979 56.287 0.086 0.000 1.122 313 K CB -0.037 32.488 32.500 0.041 0.000 1.739 313 K HN 0.752 nan 8.250 nan 0.000 0.472 314 D N -1.253 119.168 120.400 0.034 0.000 2.301 314 D HA -0.019 4.630 4.640 0.016 0.000 0.532 314 D C 1.439 177.686 176.300 -0.089 0.000 0.978 314 D CA 0.276 54.261 54.000 -0.025 0.000 1.078 314 D CB 0.118 40.900 40.800 -0.031 0.000 1.478 314 D HN 0.094 nan 8.370 nan 0.000 0.425 315 V N 0.691 120.568 119.914 -0.061 0.000 2.278 315 V HA -0.353 3.776 4.120 0.016 0.000 0.251 315 V C 2.288 178.195 176.094 -0.310 0.000 1.062 315 V CA 2.263 64.468 62.300 -0.158 0.000 1.038 315 V CB -0.217 31.487 31.823 -0.198 0.000 0.646 315 V HN 0.382 nan 8.190 nan 0.000 0.447 316 c N -0.338 118.177 118.600 -0.141 0.000 2.450 316 c HA -0.069 4.511 4.570 0.016 0.000 0.279 316 c C 2.668 176.704 174.090 -0.090 0.000 1.335 316 c CA 1.182 57.474 56.329 -0.061 0.000 1.749 316 c CB -0.943 41.596 42.510 0.048 0.000 1.963 316 c HN 0.767 nan 8.230 nan 0.000 0.501 317 K N 1.820 122.154 120.400 -0.109 0.000 2.057 317 K HA -0.073 4.256 4.320 0.016 0.000 0.206 317 K C 1.317 177.815 176.600 -0.171 0.000 1.050 317 K CA 2.159 58.382 56.287 -0.108 0.000 0.935 317 K CB -0.538 31.918 32.500 -0.073 0.000 0.715 317 K HN 0.517 nan 8.250 nan 0.000 0.439 318 N N -0.942 117.593 118.700 -0.275 0.000 2.300 318 N HA -0.095 4.654 4.740 0.016 0.000 0.179 318 N C 1.409 176.618 175.510 -0.501 0.000 1.016 318 N CA 0.859 53.700 53.050 -0.349 0.000 0.876 318 N CB -0.216 38.054 38.487 -0.362 0.000 0.979 318 N HN 0.217 nan 8.380 nan 0.000 0.432 319 Y N 1.465 121.240 120.300 -0.875 0.000 2.200 319 Y HA 0.025 4.585 4.550 0.017 0.000 0.290 319 Y C 2.150 177.897 175.900 -0.256 0.000 1.137 319 Y CA 1.124 58.823 58.100 -0.669 0.000 1.163 319 Y CB -0.492 37.626 38.460 -0.569 0.000 0.988 319 Y HN 0.038 nan 8.280 nan 0.000 0.518 320 A N -0.201 122.428 122.820 -0.318 0.000 2.014 320 A HA -0.114 4.215 4.320 0.016 0.000 0.218 320 A C 2.150 179.602 177.584 -0.221 0.000 1.163 320 A CA 1.313 53.158 52.037 -0.320 0.000 0.652 320 A CB -0.747 18.147 19.000 -0.176 0.000 0.808 320 A HN 0.587 nan 8.150 nan 0.000 0.449 321 E N -0.523 119.575 120.200 -0.170 0.000 2.153 321 E HA 0.042 4.401 4.350 0.016 0.000 0.194 321 E C 0.333 176.884 176.600 -0.082 0.000 0.988 321 E CA 1.014 57.351 56.400 -0.105 0.000 0.811 321 E CB -0.058 29.591 29.700 -0.085 0.000 0.746 321 E HN 0.537 nan 8.360 nan 0.000 0.466 322 A N -0.109 122.656 122.820 -0.092 0.000 2.517 322 A HA 0.184 4.513 4.320 0.016 0.000 0.300 322 A C 0.030 177.615 177.584 0.001 0.000 1.225 322 A CA -0.602 51.418 52.037 -0.029 0.000 0.883 322 A CB 0.399 19.421 19.000 0.037 0.000 1.459 322 A HN 0.060 nan 8.150 nan 0.000 0.437 323 K N 0.236 120.558 120.400 -0.131 0.000 2.152 323 K HA -0.169 4.160 4.320 0.016 0.000 0.206 323 K C 0.799 177.533 176.600 0.223 0.000 1.048 323 K CA 1.916 58.122 56.287 -0.135 0.000 0.933 323 K CB 0.122 32.392 32.500 -0.384 0.000 0.721 323 K HN 0.651 nan 8.250 nan 0.000 0.447 324 D N -0.092 120.409 120.400 0.169 0.000 2.149 324 D HA -0.074 4.575 4.640 0.016 0.000 0.206 324 D C 1.923 178.384 176.300 0.269 0.000 0.967 324 D CA 0.794 54.923 54.000 0.216 0.000 0.848 324 D CB -0.057 40.836 40.800 0.155 0.000 0.998 324 D HN -0.093 nan 8.370 nan 0.000 0.474 325 V N 0.956 121.017 119.914 0.245 0.000 2.469 325 V HA -0.215 3.914 4.120 0.016 0.000 0.251 325 V C 2.163 178.411 176.094 0.257 0.000 1.064 325 V CA 1.159 63.615 62.300 0.259 0.000 1.066 325 V CB -0.646 31.287 31.823 0.184 0.000 0.667 325 V HN 0.065 nan 8.190 nan 0.000 0.461 326 F N 0.292 120.346 119.950 0.173 0.000 2.187 326 F HA 0.018 4.553 4.527 0.014 0.000 0.295 326 F C 2.013 178.028 175.800 0.358 0.000 1.091 326 F CA 1.330 59.473 58.000 0.238 0.000 1.308 326 F CB -0.146 39.037 39.000 0.305 0.000 1.030 326 F HN -0.006 nan 8.300 nan 0.000 0.487 327 L N -0.382 121.098 121.223 0.428 0.000 2.093 327 L HA -0.104 4.245 4.340 0.016 0.000 0.208 327 L C 2.696 179.752 176.870 0.309 0.000 1.085 327 L CA 1.249 56.297 54.840 0.346 0.000 0.755 327 L CB -1.324 40.944 42.059 0.349 0.000 0.904 327 L HN 0.311 nan 8.230 nan 0.000 0.435 328 G N -0.696 108.299 108.800 0.325 0.000 2.432 328 G HA2 -0.285 3.684 3.960 0.016 0.000 0.219 328 G HA3 -0.285 3.684 3.960 0.016 0.000 0.219 328 G C 1.619 176.832 174.900 0.522 0.000 1.135 328 G CA 0.544 45.884 45.100 0.401 0.000 0.767 328 G HN 0.183 nan 8.290 nan 0.000 0.550 329 M N -0.775 118.994 119.600 0.281 0.000 2.132 329 M HA 0.102 4.592 4.480 0.016 0.000 0.263 329 M C 2.149 178.559 176.300 0.182 0.000 1.065 329 M CA 1.073 56.433 55.300 0.100 0.000 1.122 329 M CB -0.226 32.266 32.600 -0.180 0.000 1.365 329 M HN 0.254 nan 8.290 nan 0.000 0.411 330 F N 0.661 120.521 119.950 -0.150 0.000 2.095 330 F HA -0.266 4.269 4.527 0.014 0.000 0.298 330 F C 1.774 177.468 175.800 -0.177 0.000 1.104 330 F CA 1.750 59.459 58.000 -0.484 0.000 1.232 330 F CB -0.449 38.299 39.000 -0.420 0.000 0.987 330 F HN 0.014 nan 8.300 nan 0.000 0.475 331 L N -1.004 120.248 121.223 0.048 0.000 1.970 331 L HA -0.295 4.055 4.340 0.016 0.000 0.212 331 L C 2.520 179.385 176.870 -0.008 0.000 1.071 331 L CA 2.159 56.985 54.840 -0.024 0.000 0.751 331 L CB -1.237 40.865 42.059 0.073 0.000 0.889 331 L HN 0.306 nan 8.230 nan 0.000 0.432 332 Y N 0.934 121.253 120.300 0.033 0.000 2.139 332 Y HA -0.323 4.236 4.550 0.015 0.000 0.282 332 Y C 2.582 178.472 175.900 -0.016 0.000 1.179 332 Y CA 1.900 60.037 58.100 0.062 0.000 1.161 332 Y CB -0.070 38.594 38.460 0.340 0.000 0.970 332 Y HN 0.175 nan 8.280 nan 0.000 0.511 333 E N -0.579 119.624 120.200 0.006 0.000 2.028 333 E HA -0.213 4.147 4.350 0.016 0.000 0.191 333 E C 2.093 178.496 176.600 -0.329 0.000 0.988 333 E CA 1.440 57.729 56.400 -0.185 0.000 0.799 333 E CB -1.034 28.601 29.700 -0.109 0.000 0.755 333 E HN 0.609 nan 8.360 nan 0.000 0.447 334 Y N 1.113 121.096 120.300 -0.528 0.000 2.242 334 Y HA -0.123 4.437 4.550 0.017 0.000 0.291 334 Y C 2.215 177.916 175.900 -0.332 0.000 1.137 334 Y CA 1.047 58.841 58.100 -0.509 0.000 1.181 334 Y CB -0.452 37.518 38.460 -0.816 0.000 0.989 334 Y HN 0.027 nan 8.280 nan 0.000 0.527 335 A N 0.896 123.646 122.820 -0.116 0.000 1.873 335 A HA -0.188 4.141 4.320 0.016 0.000 0.215 335 A C 2.268 179.724 177.584 -0.212 0.000 1.186 335 A CA 1.750 53.697 52.037 -0.151 0.000 0.616 335 A CB -0.665 18.221 19.000 -0.190 0.000 0.823 335 A HN 0.555 nan 8.150 nan 0.000 0.442 336 R N -0.892 119.426 120.500 -0.304 0.000 2.285 336 R HA 0.045 4.395 4.340 0.016 0.000 0.213 336 R C 1.680 177.800 176.300 -0.300 0.000 1.068 336 R CA 1.301 57.210 56.100 -0.318 0.000 1.004 336 R CB -0.260 29.790 30.300 -0.417 0.000 0.873 336 R HN 0.391 nan 8.270 nan 0.000 0.467 337 R N -0.192 120.116 120.500 -0.320 0.000 2.290 337 R HA 0.141 4.491 4.340 0.016 0.000 0.197 337 R C -0.028 175.865 176.300 -0.679 0.000 0.913 337 R CA 0.351 56.184 56.100 -0.445 0.000 1.040 337 R CB 0.481 30.501 30.300 -0.467 0.000 0.992 337 R HN 0.308 nan 8.270 nan 0.000 0.500 338 H N -0.275 118.576 119.070 -0.365 0.000 2.488 338 H HA 0.175 4.742 4.556 0.019 0.000 0.237 338 H C -2.135 172.987 175.328 -0.343 0.000 1.395 338 H CA -1.708 54.040 56.048 -0.500 0.000 1.491 338 H CB 1.703 30.904 29.762 -0.935 0.000 1.567 338 H HN 0.038 nan 8.280 nan 0.000 0.508 339 P HA -0.034 nan 4.420 nan 0.000 0.245 339 P C 0.937 178.186 177.300 -0.085 0.000 1.212 339 P CA 0.564 63.578 63.100 -0.144 0.000 0.774 339 P CB 0.344 31.950 31.700 -0.155 0.000 0.999 340 D N -2.447 117.916 120.400 -0.061 0.000 2.339 340 D HA -0.057 4.592 4.640 0.016 0.000 0.217 340 D C 0.072 176.498 176.300 0.211 0.000 1.050 340 D CA 0.002 54.023 54.000 0.036 0.000 0.856 340 D CB -0.301 40.524 40.800 0.041 0.000 0.922 340 D HN 0.067 nan 8.370 nan 0.000 0.518 341 Y N 1.804 122.080 120.300 -0.041 0.000 2.419 341 Y HA 0.342 4.904 4.550 0.020 0.000 0.328 341 Y C 1.018 176.845 175.900 -0.121 0.000 1.162 341 Y CA -2.434 55.608 58.100 -0.097 0.000 1.174 341 Y CB 1.551 39.919 38.460 -0.153 0.000 1.228 341 Y HN -0.140 nan 8.280 nan 0.000 0.473 342 S N -0.189 115.516 115.700 0.008 0.000 2.584 342 S HA 0.283 4.763 4.470 0.016 0.000 0.273 342 S C 0.963 175.522 174.600 -0.069 0.000 1.311 342 S CA -0.775 57.396 58.200 -0.048 0.000 1.034 342 S CB 1.309 64.467 63.200 -0.069 0.000 0.939 342 S HN 0.408 nan 8.310 nan 0.000 0.513 343 V N 2.189 122.057 119.914 -0.078 0.000 2.332 343 V HA -0.212 3.917 4.120 0.016 0.000 0.248 343 V C 2.592 178.645 176.094 -0.069 0.000 1.055 343 V CA 2.148 64.382 62.300 -0.110 0.000 1.038 343 V CB -1.210 30.518 31.823 -0.158 0.000 0.651 343 V HN 0.919 nan 8.190 nan 0.000 0.450 344 V N -1.485 118.411 119.914 -0.029 0.000 2.594 344 V HA -0.195 3.935 4.120 0.016 0.000 0.253 344 V C 2.313 178.332 176.094 -0.125 0.000 1.069 344 V CA 1.973 64.241 62.300 -0.053 0.000 1.082 344 V CB -0.916 30.878 31.823 -0.049 0.000 0.680 344 V HN 0.466 nan 8.190 nan 0.000 0.469 345 L N -0.013 121.111 121.223 -0.166 0.000 2.072 345 L HA 0.044 4.394 4.340 0.016 0.000 0.205 345 L C 2.284 178.965 176.870 -0.315 0.000 1.079 345 L CA 1.725 56.404 54.840 -0.267 0.000 0.752 345 L CB -0.710 41.131 42.059 -0.362 0.000 0.906 345 L HN 0.270 nan 8.230 nan 0.000 0.436 346 L N -1.077 119.991 121.223 -0.258 0.000 1.989 346 L HA -0.259 4.090 4.340 0.016 0.000 0.211 346 L C 2.578 179.299 176.870 -0.249 0.000 1.071 346 L CA 1.499 56.157 54.840 -0.302 0.000 0.749 346 L CB -0.657 41.271 42.059 -0.219 0.000 0.890 346 L HN 0.288 nan 8.230 nan 0.000 0.431 347 L N -0.716 120.413 121.223 -0.156 0.000 2.127 347 L HA -0.227 4.123 4.340 0.016 0.000 0.211 347 L C 2.771 179.575 176.870 -0.110 0.000 1.089 347 L CA 1.111 55.896 54.840 -0.092 0.000 0.757 347 L CB -0.486 41.544 42.059 -0.048 0.000 0.899 347 L HN 0.257 nan 8.230 nan 0.000 0.434 348 R N -0.025 120.377 120.500 -0.163 0.000 2.115 348 R HA -0.106 4.244 4.340 0.016 0.000 0.230 348 R C 2.259 178.437 176.300 -0.204 0.000 1.111 348 R CA 1.058 57.060 56.100 -0.164 0.000 0.976 348 R CB -0.035 30.151 30.300 -0.190 0.000 0.870 348 R HN 0.336 nan 8.270 nan 0.000 0.445 349 L N -0.778 120.242 121.223 -0.339 0.000 2.095 349 L HA -0.013 4.337 4.340 0.016 0.000 0.204 349 L C 2.594 179.369 176.870 -0.159 0.000 1.080 349 L CA 0.968 55.494 54.840 -0.524 0.000 0.759 349 L CB -0.521 40.937 42.059 -1.001 0.000 0.914 349 L HN 0.203 nan 8.230 nan 0.000 0.439 350 A N 0.854 123.667 122.820 -0.011 0.000 1.908 350 A HA -0.265 4.064 4.320 0.016 0.000 0.218 350 A C 2.583 180.236 177.584 0.116 0.000 1.181 350 A CA 2.516 54.662 52.037 0.183 0.000 0.627 350 A CB -0.732 18.371 19.000 0.172 0.000 0.818 350 A HN 0.360 nan 8.150 nan 0.000 0.445 351 K N -1.262 119.166 120.400 0.048 0.000 2.288 351 K HA 0.014 4.344 4.320 0.016 0.000 0.201 351 K C 1.960 178.594 176.600 0.057 0.000 1.048 351 K CA 1.849 58.164 56.287 0.046 0.000 0.956 351 K CB -1.322 31.188 32.500 0.016 0.000 0.746 351 K HN 0.482 nan 8.250 nan 0.000 0.461 352 T N -0.628 113.970 114.554 0.074 0.000 2.937 352 T HA 0.007 4.367 4.350 0.016 0.000 0.260 352 T C 1.695 176.531 174.700 0.227 0.000 1.051 352 T CA 1.005 63.190 62.100 0.141 0.000 1.141 352 T CB -0.327 68.644 68.868 0.171 0.000 0.879 352 T HN 0.545 nan 8.240 nan 0.000 0.459 353 Y N 2.212 122.557 120.300 0.075 0.000 2.163 353 Y HA -0.037 4.520 4.550 0.011 0.000 0.288 353 Y C 2.468 178.289 175.900 -0.132 0.000 1.136 353 Y CA 1.478 59.549 58.100 -0.047 0.000 1.147 353 Y CB -0.368 37.840 38.460 -0.420 0.000 0.987 353 Y HN 0.238 nan 8.280 nan 0.000 0.509 354 E N -1.087 119.053 120.200 -0.100 0.000 2.118 354 E HA -0.215 4.144 4.350 0.016 0.000 0.195 354 E C 1.855 178.391 176.600 -0.106 0.000 0.992 354 E CA 1.834 58.144 56.400 -0.151 0.000 0.804 354 E CB -0.115 29.605 29.700 0.032 0.000 0.741 354 E HN 0.476 nan 8.360 nan 0.000 0.458 355 T N -0.073 114.462 114.554 -0.032 0.000 2.770 355 T HA -0.134 4.225 4.350 0.016 0.000 0.263 355 T C 1.973 176.661 174.700 -0.021 0.000 1.039 355 T CA 2.048 64.147 62.100 -0.001 0.000 1.142 355 T CB -0.415 68.473 68.868 0.033 0.000 0.868 355 T HN 0.474 nan 8.240 nan 0.000 0.435 356 T N 1.336 115.871 114.554 -0.031 0.000 2.821 356 T HA 0.090 4.449 4.350 0.016 0.000 0.267 356 T C 2.023 176.670 174.700 -0.088 0.000 1.046 356 T CA 0.558 62.647 62.100 -0.019 0.000 1.139 356 T CB -0.674 68.218 68.868 0.040 0.000 0.871 356 T HN 0.204 nan 8.240 nan 0.000 0.454 357 L N 0.616 121.667 121.223 -0.287 0.000 2.187 357 L HA -0.086 4.263 4.340 0.016 0.000 0.213 357 L C 2.903 179.684 176.870 -0.148 0.000 1.100 357 L CA 1.519 56.104 54.840 -0.425 0.000 0.765 357 L CB -0.440 41.019 42.059 -1.001 0.000 0.904 357 L HN 0.370 nan 8.230 nan 0.000 0.437 358 E N -0.216 119.955 120.200 -0.048 0.000 2.230 358 E HA -0.174 4.186 4.350 0.016 0.000 0.192 358 E C 1.980 178.607 176.600 0.045 0.000 0.987 358 E CA 0.596 57.034 56.400 0.063 0.000 0.841 358 E CB 0.151 29.895 29.700 0.072 0.000 0.783 358 E HN 0.519 nan 8.360 nan 0.000 0.481 359 K N 0.352 120.768 120.400 0.025 0.000 2.243 359 K HA 0.004 4.334 4.320 0.016 0.000 0.201 359 K C 1.859 178.483 176.600 0.040 0.000 1.051 359 K CA 0.934 57.239 56.287 0.031 0.000 0.970 359 K CB 0.036 32.552 32.500 0.027 0.000 0.755 359 K HN 0.023 nan 8.250 nan 0.000 0.465 360 c N 0.512 119.148 118.600 0.059 0.000 2.518 360 c HA 0.147 4.727 4.570 0.016 0.000 0.283 360 c C 2.410 176.565 174.090 0.107 0.000 1.351 360 c CA -0.318 56.067 56.329 0.093 0.000 1.745 360 c CB -0.594 42.032 42.510 0.193 0.000 2.107 360 c HN 0.604 nan 8.230 nan 0.000 0.502 361 c N 1.757 120.425 118.600 0.114 0.000 2.485 361 c HA 0.262 4.841 4.570 0.016 0.000 0.283 361 c C 1.747 175.876 174.090 0.065 0.000 1.478 361 c CA 0.713 57.107 56.329 0.108 0.000 1.741 361 c CB -2.258 40.323 42.510 0.118 0.000 1.675 361 c HN 0.655 nan 8.230 nan 0.000 0.573 362 A N -0.116 122.735 122.820 0.050 0.000 3.105 362 A HA 0.786 5.115 4.320 0.016 0.000 0.297 362 A C 0.146 177.741 177.584 0.019 0.000 0.977 362 A CA 0.532 52.587 52.037 0.030 0.000 1.020 362 A CB -0.181 18.836 19.000 0.029 0.000 1.098 362 A HN 0.575 nan 8.150 nan 0.000 0.497 363 A N -0.990 121.839 122.820 0.014 0.000 2.483 363 A HA 0.782 5.111 4.320 0.016 0.000 0.294 363 A C 0.955 178.533 177.584 -0.010 0.000 1.077 363 A CA 0.091 52.129 52.037 0.001 0.000 0.633 363 A CB -0.664 18.336 19.000 -0.000 0.000 1.318 363 A HN 1.794 nan 8.150 nan 0.000 0.455 364 A N 0.111 122.921 122.820 -0.016 0.000 2.428 364 A HA -0.135 4.194 4.320 0.016 0.000 0.232 364 A C 0.786 178.349 177.584 -0.035 0.000 1.624 364 A CA 2.844 54.866 52.037 -0.025 0.000 0.985 364 A CB -0.749 18.234 19.000 -0.029 0.000 0.733 364 A HN 1.237 nan 8.150 nan 0.000 0.525 365 D N -1.702 118.664 120.400 -0.056 0.000 2.404 365 D HA 0.465 5.114 4.640 0.016 0.000 0.267 365 D C -2.009 174.205 176.300 -0.144 0.000 1.194 365 D CA -1.962 51.989 54.000 -0.082 0.000 0.910 365 D CB 1.005 41.756 40.800 -0.081 0.000 1.090 365 D HN -0.031 nan 8.370 nan 0.000 0.511 366 P HA -0.209 nan 4.420 nan 0.000 0.216 366 P C 1.357 178.169 177.300 -0.813 0.000 1.157 366 P CA 1.060 64.015 63.100 -0.241 0.000 0.880 366 P CB 0.013 31.733 31.700 0.035 0.000 0.791 367 H N -1.447 117.229 119.070 -0.657 0.000 2.566 367 H HA -0.065 4.501 4.556 0.016 0.000 0.285 367 H C 1.684 176.665 175.328 -0.578 0.000 1.041 367 H CA 1.266 56.862 56.048 -0.753 0.000 1.207 367 H CB -0.633 28.990 29.762 -0.232 0.000 1.353 367 H HN 0.373 nan 8.280 nan 0.000 0.604 368 E N -2.339 117.567 120.200 -0.491 0.000 2.536 368 E HA 0.025 4.384 4.350 0.016 0.000 0.220 368 E C 1.933 178.386 176.600 -0.245 0.000 0.876 368 E CA 0.539 56.768 56.400 -0.284 0.000 1.190 368 E CB -0.134 29.462 29.700 -0.174 0.000 1.191 368 E HN 0.519 nan 8.360 nan 0.000 0.557 369 c N 0.826 119.245 118.600 -0.301 0.000 2.505 369 c HA 0.030 4.609 4.570 0.016 0.000 0.279 369 c C 1.991 176.039 174.090 -0.070 0.000 1.316 369 c CA 0.586 56.828 56.329 -0.144 0.000 1.720 369 c CB -0.847 41.613 42.510 -0.084 0.000 2.050 369 c HN 0.614 nan 8.230 nan 0.000 0.493 370 Y N 0.650 120.929 120.300 -0.035 0.000 2.537 370 Y HA 0.660 5.217 4.550 0.012 0.000 0.303 370 Y C 1.524 177.392 175.900 -0.052 0.000 1.176 370 Y CA -0.261 57.817 58.100 -0.036 0.000 1.273 370 Y CB -1.440 36.995 38.460 -0.041 0.000 1.110 370 Y HN 0.202 nan 8.280 nan 0.000 0.518 371 A N 1.298 124.103 122.820 -0.025 0.000 1.874 371 A HA 0.086 4.416 4.320 0.016 0.000 0.214 371 A C 1.967 179.529 177.584 -0.037 0.000 1.189 371 A CA 1.227 53.241 52.037 -0.039 0.000 0.615 371 A CB -0.808 18.132 19.000 -0.101 0.000 0.830 371 A HN 0.401 nan 8.150 nan 0.000 0.443 372 K N 0.290 120.679 120.400 -0.019 0.000 3.100 372 K HA 0.591 4.920 4.320 0.016 0.000 0.256 372 K C 0.929 177.528 176.600 -0.001 0.000 1.146 372 K CA 0.463 56.744 56.287 -0.009 0.000 1.233 372 K CB -0.837 31.664 32.500 0.001 0.000 1.226 372 K HN 0.215 nan 8.250 nan 0.000 0.442 373 V N -0.344 119.554 119.914 -0.025 0.000 2.379 373 V HA -0.019 4.110 4.120 0.016 0.000 0.243 373 V C 1.733 177.709 176.094 -0.196 0.000 1.035 373 V CA 1.037 63.311 62.300 -0.044 0.000 1.035 373 V CB -0.513 31.328 31.823 0.030 0.000 0.673 373 V HN 0.710 nan 8.190 nan 0.000 0.457 374 F N 0.602 120.280 119.950 -0.453 0.000 2.408 374 F HA -0.097 4.436 4.527 0.011 0.000 0.300 374 F C 2.154 177.815 175.800 -0.232 0.000 1.090 374 F CA 0.760 58.419 58.000 -0.570 0.000 1.427 374 F CB -0.836 38.034 39.000 -0.216 0.000 1.070 374 F HN 0.300 nan 8.300 nan 0.000 0.549 375 D N -0.355 120.082 120.400 0.062 0.000 2.317 375 D HA -0.106 4.544 4.640 0.016 0.000 0.211 375 D C 1.966 178.319 176.300 0.088 0.000 0.966 375 D CA 0.605 54.652 54.000 0.078 0.000 0.876 375 D CB -0.074 40.759 40.800 0.055 0.000 0.927 375 D HN 0.389 nan 8.370 nan 0.000 0.519 376 E N -0.677 119.572 120.200 0.082 0.000 2.442 376 E HA -0.025 4.334 4.350 0.016 0.000 0.195 376 E C 1.228 178.027 176.600 0.332 0.000 1.030 376 E CA -0.030 56.468 56.400 0.164 0.000 0.869 376 E CB 0.264 30.063 29.700 0.164 0.000 0.857 376 E HN 0.165 nan 8.360 nan 0.000 0.505 377 F N 1.394 121.398 119.950 0.090 0.000 2.270 377 F HA 0.029 4.559 4.527 0.006 0.000 0.295 377 F C 2.161 177.949 175.800 -0.020 0.000 1.087 377 F CA 0.477 58.487 58.000 0.016 0.000 1.365 377 F CB -0.600 38.401 39.000 0.002 0.000 1.056 377 F HN -0.109 nan 8.300 nan 0.000 0.506 378 K N 0.173 120.700 120.400 0.210 0.000 2.049 378 K HA -0.236 4.093 4.320 0.016 0.000 0.219 378 K C -0.301 176.329 176.600 0.051 0.000 1.056 378 K CA 2.487 58.839 56.287 0.108 0.000 0.946 378 K CB -1.613 30.944 32.500 0.095 0.000 0.723 378 K HN 0.178 nan 8.250 nan 0.000 0.453 379 P HA -0.158 nan 4.420 nan 0.000 0.215 379 P C 1.305 178.595 177.300 -0.017 0.000 1.153 379 P CA 0.988 64.100 63.100 0.020 0.000 0.853 379 P CB 0.058 31.777 31.700 0.033 0.000 0.788 380 L N -1.087 120.123 121.223 -0.022 0.000 2.042 380 L HA -0.145 4.205 4.340 0.016 0.000 0.210 380 L C 2.385 179.153 176.870 -0.170 0.000 1.076 380 L CA 1.768 56.552 54.840 -0.092 0.000 0.749 380 L CB -1.337 40.652 42.059 -0.117 0.000 0.893 380 L HN -0.137 nan 8.230 nan 0.000 0.432 381 V N -1.122 118.682 119.914 -0.183 0.000 2.346 381 V HA -0.179 3.950 4.120 0.016 0.000 0.244 381 V C 2.297 178.282 176.094 -0.183 0.000 1.037 381 V CA 1.222 63.349 62.300 -0.288 0.000 1.029 381 V CB -0.443 31.213 31.823 -0.279 0.000 0.663 381 V HN 0.446 nan 8.190 nan 0.000 0.454 382 E N -0.124 120.023 120.200 -0.089 0.000 2.160 382 E HA -0.247 4.113 4.350 0.016 0.000 0.195 382 E C 2.204 178.775 176.600 -0.048 0.000 0.991 382 E CA 1.080 57.451 56.400 -0.047 0.000 0.810 382 E CB -0.091 29.601 29.700 -0.012 0.000 0.742 382 E HN 0.573 nan 8.360 nan 0.000 0.466 383 E N 0.785 120.950 120.200 -0.058 0.000 2.012 383 E HA -0.153 4.206 4.350 0.016 0.000 0.197 383 E C -0.618 175.952 176.600 -0.050 0.000 1.007 383 E CA 1.431 57.804 56.400 -0.045 0.000 0.816 383 E CB -0.832 28.841 29.700 -0.046 0.000 0.762 383 E HN 0.168 nan 8.360 nan 0.000 0.451 384 P HA -0.137 nan 4.420 nan 0.000 0.217 384 P C 1.473 178.739 177.300 -0.056 0.000 1.150 384 P CA 1.413 64.469 63.100 -0.073 0.000 0.832 384 P CB -0.173 31.456 31.700 -0.118 0.000 0.787 385 Q N -0.391 119.367 119.800 -0.070 0.000 2.030 385 Q HA -0.169 4.180 4.340 0.016 0.000 0.204 385 Q C 2.217 178.211 176.000 -0.011 0.000 0.986 385 Q CA 1.564 57.345 55.803 -0.037 0.000 0.843 385 Q CB -0.446 28.273 28.738 -0.032 0.000 0.904 385 Q HN 0.230 nan 8.270 nan 0.000 0.420 386 N N 0.319 119.013 118.700 -0.009 0.000 2.223 386 N HA -0.139 4.610 4.740 0.016 0.000 0.185 386 N C 1.661 177.180 175.510 0.015 0.000 1.016 386 N CA 0.737 53.790 53.050 0.006 0.000 0.863 386 N CB -0.248 38.243 38.487 0.007 0.000 0.983 386 N HN 0.217 nan 8.380 nan 0.000 0.429 387 L N 0.725 121.954 121.223 0.011 0.000 2.012 387 L HA -0.152 4.198 4.340 0.016 0.000 0.210 387 L C 1.914 178.805 176.870 0.035 0.000 1.073 387 L CA 1.206 56.062 54.840 0.027 0.000 0.748 387 L CB -0.351 41.721 42.059 0.022 0.000 0.891 387 L HN 0.107 nan 8.230 nan 0.000 0.431 388 I N -0.269 120.312 120.570 0.018 0.000 2.179 388 I HA -0.317 3.863 4.170 0.016 0.000 0.242 388 I C 2.807 178.935 176.117 0.018 0.000 1.088 388 I CA 1.112 62.421 61.300 0.015 0.000 1.357 388 I CB -1.252 36.748 38.000 -0.001 0.000 1.051 388 I HN 0.170 nan 8.210 nan 0.000 0.409 389 K N 0.340 120.752 120.400 0.019 0.000 2.001 389 K HA -0.243 4.086 4.320 0.016 0.000 0.214 389 K C 2.359 178.979 176.600 0.034 0.000 1.050 389 K CA 1.919 58.220 56.287 0.023 0.000 0.934 389 K CB -0.854 31.660 32.500 0.022 0.000 0.718 389 K HN 0.440 nan 8.250 nan 0.000 0.443 390 Q N 0.171 119.996 119.800 0.042 0.000 2.135 390 Q HA -0.062 4.287 4.340 0.016 0.000 0.204 390 Q C 2.181 178.232 176.000 0.085 0.000 0.981 390 Q CA 2.035 57.871 55.803 0.056 0.000 0.856 390 Q CB -0.574 28.197 28.738 0.054 0.000 0.902 390 Q HN 0.624 nan 8.270 nan 0.000 0.425 391 N N -1.420 117.337 118.700 0.095 0.000 2.376 391 N HA -0.019 4.730 4.740 0.016 0.000 0.177 391 N C 1.651 177.196 175.510 0.058 0.000 1.024 391 N CA 1.069 54.213 53.050 0.157 0.000 0.893 391 N CB -0.011 38.594 38.487 0.197 0.000 0.980 391 N HN 0.377 nan 8.380 nan 0.000 0.439 392 c N 0.713 119.317 118.600 0.007 0.000 2.485 392 c HA 0.074 4.653 4.570 0.016 0.000 0.277 392 c C 2.556 176.669 174.090 0.040 0.000 1.376 392 c CA 0.006 56.313 56.329 -0.037 0.000 1.759 392 c CB -0.457 42.030 42.510 -0.040 0.000 1.970 392 c HN 0.466 nan 8.230 nan 0.000 0.509 393 E N 0.623 120.849 120.200 0.043 0.000 2.152 393 E HA -0.170 4.189 4.350 0.016 0.000 0.192 393 E C 1.994 178.623 176.600 0.048 0.000 0.983 393 E CA 0.865 57.293 56.400 0.045 0.000 0.818 393 E CB -0.030 29.694 29.700 0.040 0.000 0.758 393 E HN 0.574 nan 8.360 nan 0.000 0.467 394 L N 0.104 121.369 121.223 0.070 0.000 2.162 394 L HA -0.001 4.349 4.340 0.016 0.000 0.205 394 L C 2.044 178.941 176.870 0.045 0.000 1.086 394 L CA 1.143 56.039 54.840 0.093 0.000 0.778 394 L CB -0.513 41.657 42.059 0.184 0.000 0.928 394 L HN 0.125 nan 8.230 nan 0.000 0.446 395 F N 0.250 120.013 119.950 -0.313 0.000 2.408 395 F HA -0.111 4.425 4.527 0.016 0.000 0.300 395 F C 2.017 177.655 175.800 -0.270 0.000 1.090 395 F CA 1.315 58.934 58.000 -0.636 0.000 1.427 395 F CB -0.019 38.345 39.000 -1.059 0.000 1.070 395 F HN 0.185 nan 8.300 nan 0.000 0.549 396 E N 0.012 120.158 120.200 -0.090 0.000 2.318 396 E HA -0.101 4.258 4.350 0.016 0.000 0.193 396 E C 1.944 178.473 176.600 -0.119 0.000 0.998 396 E CA 0.599 56.931 56.400 -0.112 0.000 0.859 396 E CB -0.161 29.545 29.700 0.010 0.000 0.812 396 E HN 0.656 nan 8.360 nan 0.000 0.492 397 Q N 0.196 119.950 119.800 -0.077 0.000 2.163 397 Q HA 0.094 4.443 4.340 0.016 0.000 0.198 397 Q C 0.636 176.600 176.000 -0.059 0.000 0.954 397 Q CA 0.587 56.363 55.803 -0.045 0.000 0.851 397 Q CB 0.245 28.981 28.738 -0.003 0.000 0.928 397 Q HN 0.141 nan 8.270 nan 0.000 0.459 398 L N -1.202 119.973 121.223 -0.079 0.000 2.354 398 L HA 0.658 5.008 4.340 0.016 0.000 0.269 398 L C 0.550 177.320 176.870 -0.166 0.000 1.005 398 L CA -1.320 53.486 54.840 -0.056 0.000 0.819 398 L CB 1.047 43.130 42.059 0.040 0.000 1.311 398 L HN -0.115 nan 8.230 nan 0.000 0.423 399 G N 0.044 108.782 108.800 -0.103 0.000 2.661 399 G HA2 0.030 4.000 3.960 0.016 0.000 0.272 399 G HA3 0.030 4.000 3.960 0.016 0.000 0.272 399 G C 0.614 175.447 174.900 -0.112 0.000 1.296 399 G CA 0.329 45.337 45.100 -0.154 0.000 0.998 399 G HN 0.980 nan 8.290 nan 0.000 0.553 400 E N -1.308 118.863 120.200 -0.048 0.000 2.077 400 E HA -0.229 4.130 4.350 0.016 0.000 0.193 400 E C 1.891 178.663 176.600 0.288 0.000 0.989 400 E CA 1.334 57.864 56.400 0.217 0.000 0.800 400 E CB -0.315 29.544 29.700 0.265 0.000 0.746 400 E HN 0.598 nan 8.360 nan 0.000 0.452 401 Y N 1.136 121.496 120.300 0.100 0.000 2.133 401 Y HA -0.041 4.519 4.550 0.017 0.000 0.287 401 Y C 1.955 177.897 175.900 0.069 0.000 1.134 401 Y CA 1.820 59.966 58.100 0.076 0.000 1.133 401 Y CB -0.023 38.465 38.460 0.045 0.000 0.987 401 Y HN -0.127 nan 8.280 nan 0.000 0.502 402 K N -0.725 119.707 120.400 0.053 0.000 2.442 402 K HA -0.129 4.201 4.320 0.016 0.000 0.198 402 K C 1.721 178.308 176.600 -0.022 0.000 1.042 402 K CA 0.972 57.229 56.287 -0.050 0.000 0.958 402 K CB -0.297 32.252 32.500 0.080 0.000 0.766 402 K HN 0.365 nan 8.250 nan 0.000 0.474 403 F N 1.613 121.505 119.950 -0.096 0.000 2.147 403 F HA -0.075 4.460 4.527 0.014 0.000 0.291 403 F C 1.938 177.697 175.800 -0.069 0.000 1.093 403 F CA 1.196 59.174 58.000 -0.036 0.000 1.263 403 F CB -0.234 38.818 39.000 0.086 0.000 1.036 403 F HN -0.069 nan 8.300 nan 0.000 0.481 404 Q N 0.315 119.988 119.800 -0.211 0.000 2.152 404 Q HA -0.253 4.096 4.340 0.016 0.000 0.206 404 Q C 1.836 177.615 176.000 -0.367 0.000 0.985 404 Q CA 1.840 57.453 55.803 -0.316 0.000 0.863 404 Q CB -0.439 28.214 28.738 -0.140 0.000 0.904 404 Q HN 0.408 nan 8.270 nan 0.000 0.422 405 N N 0.521 118.991 118.700 -0.385 0.000 2.120 405 N HA -0.144 4.605 4.740 0.016 0.000 0.188 405 N C 1.611 176.943 175.510 -0.297 0.000 1.024 405 N CA 1.442 54.284 53.050 -0.347 0.000 0.852 405 N CB -0.501 37.761 38.487 -0.374 0.000 1.003 405 N HN 0.289 nan 8.380 nan 0.000 0.424 406 A N 1.089 123.729 122.820 -0.300 0.000 1.940 406 A HA -0.094 4.236 4.320 0.016 0.000 0.219 406 A C 2.317 179.661 177.584 -0.399 0.000 1.176 406 A CA 1.022 52.892 52.037 -0.278 0.000 0.631 406 A CB -0.734 18.140 19.000 -0.209 0.000 0.814 406 A HN 0.235 nan 8.150 nan 0.000 0.446 407 L N -1.253 119.642 121.223 -0.546 0.000 2.027 407 L HA -0.162 4.187 4.340 0.016 0.000 0.206 407 L C 2.507 178.997 176.870 -0.634 0.000 1.074 407 L CA 0.679 55.080 54.840 -0.732 0.000 0.745 407 L CB -0.660 41.032 42.059 -0.611 0.000 0.898 407 L HN 0.290 nan 8.230 nan 0.000 0.433 408 L N -0.122 120.885 121.223 -0.360 0.000 1.997 408 L HA -0.243 4.106 4.340 0.016 0.000 0.216 408 L C 2.555 179.304 176.870 -0.201 0.000 1.074 408 L CA 1.771 56.484 54.840 -0.212 0.000 0.763 408 L CB -0.935 41.017 42.059 -0.178 0.000 0.890 408 L HN 0.001 nan 8.230 nan 0.000 0.434 409 V N -0.658 119.125 119.914 -0.218 0.000 2.287 409 V HA -0.305 3.824 4.120 0.016 0.000 0.248 409 V C 2.727 178.712 176.094 -0.181 0.000 1.053 409 V CA 1.922 64.123 62.300 -0.165 0.000 1.027 409 V CB -0.678 31.058 31.823 -0.146 0.000 0.646 409 V HN 0.454 nan 8.190 nan 0.000 0.447 410 R N -0.877 119.443 120.500 -0.301 0.000 2.080 410 R HA -0.199 4.150 4.340 0.016 0.000 0.236 410 R C 2.376 178.582 176.300 -0.156 0.000 1.137 410 R CA 2.265 58.182 56.100 -0.305 0.000 0.943 410 R CB -0.336 29.638 30.300 -0.544 0.000 0.846 410 R HN 0.559 nan 8.270 nan 0.000 0.431 411 Y N -0.246 120.004 120.300 -0.084 0.000 2.457 411 Y HA -0.006 4.552 4.550 0.014 0.000 0.292 411 Y C 2.412 178.265 175.900 -0.079 0.000 1.125 411 Y CA 0.872 58.926 58.100 -0.077 0.000 1.254 411 Y CB -0.705 37.696 38.460 -0.099 0.000 1.012 411 Y HN 0.060 nan 8.280 nan 0.000 0.555 412 T N -0.187 114.385 114.554 0.030 0.000 2.904 412 T HA -0.100 4.259 4.350 0.016 0.000 0.267 412 T C 1.732 176.387 174.700 -0.076 0.000 1.059 412 T CA 1.116 63.196 62.100 -0.034 0.000 1.137 412 T CB -0.059 68.777 68.868 -0.054 0.000 0.879 412 T HN 0.319 nan 8.240 nan 0.000 0.467 413 K N 0.865 121.235 120.400 -0.050 0.000 2.228 413 K HA 0.073 4.402 4.320 0.016 0.000 0.202 413 K C 2.263 178.845 176.600 -0.029 0.000 1.051 413 K CA 0.716 56.972 56.287 -0.051 0.000 0.960 413 K CB 0.080 32.562 32.500 -0.030 0.000 0.743 413 K HN 0.237 nan 8.250 nan 0.000 0.458 414 K N 0.668 121.077 120.400 0.016 0.000 2.044 414 K HA -0.029 4.300 4.320 0.016 0.000 0.204 414 K C 0.782 177.393 176.600 0.017 0.000 1.049 414 K CA 1.099 57.413 56.287 0.046 0.000 0.945 414 K CB 0.464 33.037 32.500 0.122 0.000 0.724 414 K HN 0.024 nan 8.250 nan 0.000 0.440 415 V N -1.359 118.555 119.914 -0.001 0.000 2.467 415 V HA 0.251 4.381 4.120 0.016 0.000 0.260 415 V C -2.669 173.365 176.094 -0.101 0.000 0.963 415 V CA -1.647 60.639 62.300 -0.023 0.000 0.856 415 V CB 1.212 33.055 31.823 0.033 0.000 1.087 415 V HN -0.073 nan 8.190 nan 0.000 0.467 416 P HA -0.106 nan 4.420 nan 0.000 0.217 416 P C 1.535 178.675 177.300 -0.266 0.000 1.150 416 P CA 1.437 64.253 63.100 -0.472 0.000 0.832 416 P CB 0.287 31.183 31.700 -1.340 0.000 0.787 417 Q N -0.448 119.276 119.800 -0.127 0.000 2.173 417 Q HA -0.099 4.250 4.340 0.016 0.000 0.208 417 Q C 0.649 176.676 176.000 0.045 0.000 0.989 417 Q CA 0.748 56.582 55.803 0.051 0.000 0.872 417 Q CB -1.562 27.239 28.738 0.106 0.000 0.909 417 Q HN 0.110 nan 8.270 nan 0.000 0.420 418 V N 2.137 122.071 119.914 0.034 0.000 2.694 418 V HA -0.064 4.065 4.120 0.016 0.000 0.306 418 V C 0.715 176.821 176.094 0.020 0.000 1.054 418 V CA 0.114 62.442 62.300 0.047 0.000 1.161 418 V CB 0.563 32.413 31.823 0.045 0.000 0.916 418 V HN 0.425 nan 8.190 nan 0.000 0.490 419 S N 3.761 119.472 115.700 0.020 0.000 2.559 419 S HA -0.026 4.453 4.470 0.016 0.000 0.282 419 S C 1.243 175.842 174.600 -0.001 0.000 1.336 419 S CA 0.467 58.671 58.200 0.007 0.000 1.037 419 S CB 0.823 64.024 63.200 0.001 0.000 0.853 419 S HN 0.816 nan 8.310 nan 0.000 0.523 420 T N 3.404 117.952 114.554 -0.009 0.000 2.812 420 T HA 0.047 4.407 4.350 0.016 0.000 0.264 420 T C -0.827 173.862 174.700 -0.017 0.000 1.042 420 T CA 1.338 63.427 62.100 -0.018 0.000 1.140 420 T CB -1.120 67.731 68.868 -0.029 0.000 0.870 420 T HN 0.719 nan 8.240 nan 0.000 0.445 421 P HA -0.000 nan 4.420 nan 0.000 0.221 421 P C 1.319 178.614 177.300 -0.007 0.000 1.150 421 P CA 1.089 64.182 63.100 -0.011 0.000 0.800 421 P CB -0.201 31.493 31.700 -0.010 0.000 0.787 422 T N 0.523 115.073 114.554 -0.006 0.000 2.770 422 T HA 0.003 4.362 4.350 0.016 0.000 0.263 422 T C 1.938 176.631 174.700 -0.012 0.000 1.039 422 T CA 0.736 62.833 62.100 -0.005 0.000 1.142 422 T CB -0.776 68.094 68.868 0.003 0.000 0.868 422 T HN 0.012 nan 8.240 nan 0.000 0.435 423 L N 1.025 122.242 121.223 -0.009 0.000 2.013 423 L HA -0.157 4.192 4.340 0.016 0.000 0.212 423 L C 2.638 179.506 176.870 -0.003 0.000 1.073 423 L CA 1.347 56.184 54.840 -0.005 0.000 0.753 423 L CB -0.749 41.308 42.059 -0.003 0.000 0.890 423 L HN 0.186 nan 8.230 nan 0.000 0.432 424 V N -0.680 119.229 119.914 -0.010 0.000 2.261 424 V HA -0.278 3.851 4.120 0.016 0.000 0.246 424 V C 2.481 178.573 176.094 -0.004 0.000 1.047 424 V CA 1.733 64.026 62.300 -0.010 0.000 1.015 424 V CB -0.575 31.243 31.823 -0.009 0.000 0.642 424 V HN 0.439 nan 8.190 nan 0.000 0.446 425 E N 0.014 120.213 120.200 -0.003 0.000 2.086 425 E HA -0.228 4.132 4.350 0.016 0.000 0.200 425 E C 2.296 178.891 176.600 -0.007 0.000 1.012 425 E CA 1.926 58.325 56.400 -0.001 0.000 0.812 425 E CB -0.283 29.416 29.700 -0.002 0.000 0.743 425 E HN 0.451 nan 8.360 nan 0.000 0.453 426 V N 0.893 120.794 119.914 -0.021 0.000 2.261 426 V HA -0.249 3.881 4.120 0.016 0.000 0.246 426 V C 2.358 178.447 176.094 -0.010 0.000 1.047 426 V CA 2.019 64.294 62.300 -0.042 0.000 1.015 426 V CB -0.504 31.263 31.823 -0.094 0.000 0.642 426 V HN 0.220 nan 8.190 nan 0.000 0.446 427 S N -0.585 115.130 115.700 0.026 0.000 2.419 427 S HA -0.187 4.292 4.470 0.016 0.000 0.235 427 S C 1.980 176.580 174.600 0.000 0.000 1.019 427 S CA 1.229 59.456 58.200 0.046 0.000 0.982 427 S CB -0.314 62.891 63.200 0.007 0.000 0.789 427 S HN 0.494 nan 8.310 nan 0.000 0.490 428 R N 1.569 122.071 120.500 0.004 0.000 2.064 428 R HA 0.010 4.359 4.340 0.016 0.000 0.228 428 R C 2.074 178.391 176.300 0.028 0.000 1.144 428 R CA 1.285 57.397 56.100 0.019 0.000 0.932 428 R CB -0.710 29.604 30.300 0.023 0.000 0.833 428 R HN 0.364 nan 8.270 nan 0.000 0.429 429 N N 1.121 119.828 118.700 0.012 0.000 2.037 429 N HA -0.194 4.555 4.740 0.016 0.000 0.196 429 N C 1.896 177.413 175.510 0.011 0.000 1.034 429 N CA 1.335 54.386 53.050 0.001 0.000 0.861 429 N CB -0.482 38.000 38.487 -0.009 0.000 1.039 429 N HN 0.036 nan 8.380 nan 0.000 0.427 430 L N 0.834 122.072 121.223 0.025 0.000 2.043 430 L HA -0.113 4.236 4.340 0.016 0.000 0.212 430 L C 2.445 179.385 176.870 0.117 0.000 1.075 430 L CA 1.859 56.734 54.840 0.058 0.000 0.752 430 L CB -1.265 40.843 42.059 0.081 0.000 0.891 430 L HN 0.235 nan 8.230 nan 0.000 0.432 431 G N -0.901 107.972 108.800 0.122 0.000 2.440 431 G HA2 -0.252 3.717 3.960 0.016 0.000 0.218 431 G HA3 -0.252 3.717 3.960 0.016 0.000 0.218 431 G C 1.674 176.723 174.900 0.249 0.000 1.154 431 G CA 0.688 45.962 45.100 0.290 0.000 0.767 431 G HN 0.359 nan 8.290 nan 0.000 0.552 432 K N 0.121 120.589 120.400 0.113 0.000 2.097 432 K HA -0.031 4.298 4.320 0.016 0.000 0.206 432 K C 2.502 179.068 176.600 -0.057 0.000 1.049 432 K CA 1.067 57.372 56.287 0.030 0.000 0.933 432 K CB -0.470 32.012 32.500 -0.031 0.000 0.717 432 K HN 0.236 nan 8.250 nan 0.000 0.442 433 V N 1.273 121.152 119.914 -0.058 0.000 2.490 433 V HA -0.190 3.940 4.120 0.016 0.000 0.250 433 V C 2.424 178.477 176.094 -0.069 0.000 1.061 433 V CA 2.142 64.400 62.300 -0.071 0.000 1.064 433 V CB -0.942 30.899 31.823 0.029 0.000 0.670 433 V HN 0.505 nan 8.190 nan 0.000 0.461 434 G N 0.020 108.782 108.800 -0.062 0.000 2.422 434 G HA2 -0.215 3.755 3.960 0.016 0.000 0.218 434 G HA3 -0.215 3.755 3.960 0.016 0.000 0.218 434 G C 1.742 176.167 174.900 -0.792 0.000 1.146 434 G CA 1.195 46.094 45.100 -0.334 0.000 0.769 434 G HN 0.619 nan 8.290 nan 0.000 0.547 435 S N 1.103 116.498 115.700 -0.507 0.000 2.425 435 S HA -0.015 4.464 4.470 0.016 0.000 0.225 435 S C 1.999 176.519 174.600 -0.133 0.000 1.024 435 S CA 1.130 59.114 58.200 -0.361 0.000 0.951 435 S CB -0.069 63.200 63.200 0.114 0.000 0.796 435 S HN 0.638 nan 8.310 nan 0.000 0.498 436 K N 0.588 120.947 120.400 -0.068 0.000 2.296 436 K HA 0.182 4.512 4.320 0.016 0.000 0.200 436 K C 1.510 178.220 176.600 0.183 0.000 1.048 436 K CA 0.918 57.243 56.287 0.062 0.000 0.966 436 K CB -0.396 32.135 32.500 0.052 0.000 0.754 436 K HN 0.357 nan 8.250 nan 0.000 0.466 437 c N 0.270 118.900 118.600 0.051 0.000 2.535 437 c HA 0.128 4.707 4.570 0.016 0.000 0.310 437 c C 2.505 176.630 174.090 0.057 0.000 1.344 437 c CA -0.422 55.934 56.329 0.045 0.000 1.831 437 c CB -0.399 42.089 42.510 -0.036 0.000 2.284 437 c HN 0.573 nan 8.230 nan 0.000 0.523 438 c N 1.691 120.220 118.600 -0.118 0.000 2.466 438 c HA 0.028 4.607 4.570 0.016 0.000 0.283 438 c C 2.851 176.937 174.090 -0.007 0.000 1.472 438 c CA 1.557 57.810 56.329 -0.128 0.000 1.765 438 c CB -1.755 40.538 42.510 -0.363 0.000 1.724 438 c HN 0.750 nan 8.230 nan 0.000 0.560 439 K N -0.100 120.335 120.400 0.059 0.000 2.366 439 K HA 0.001 4.330 4.320 0.016 0.000 0.198 439 K C 0.694 177.275 176.600 -0.033 0.000 1.044 439 K CA 0.661 56.961 56.287 0.021 0.000 0.973 439 K CB -0.539 31.945 32.500 -0.027 0.000 0.767 439 K HN 0.771 nan 8.250 nan 0.000 0.475 440 H N -0.018 119.043 119.070 -0.015 0.000 2.508 440 H HA 0.292 4.857 4.556 0.016 0.000 0.344 440 H C -2.381 172.942 175.328 -0.008 0.000 1.192 440 H CA -2.353 53.691 56.048 -0.007 0.000 1.290 440 H CB 1.549 31.307 29.762 -0.005 0.000 1.571 440 H HN 0.094 nan 8.280 nan 0.000 0.555 441 P HA 0.001 nan 4.420 nan 0.000 0.274 441 P C 0.755 178.089 177.300 0.057 0.000 1.256 441 P CA -0.224 62.913 63.100 0.061 0.000 0.795 441 P CB 0.861 32.583 31.700 0.038 0.000 1.038 442 E N 0.602 120.825 120.200 0.037 0.000 2.301 442 E HA -0.309 4.051 4.350 0.016 0.000 0.202 442 E C 1.629 178.248 176.600 0.032 0.000 1.017 442 E CA 1.560 57.979 56.400 0.032 0.000 0.831 442 E CB -0.364 29.353 29.700 0.029 0.000 0.742 442 E HN 0.481 nan 8.360 nan 0.000 0.491 443 A N 0.711 123.549 122.820 0.029 0.000 1.873 443 A HA -0.125 4.205 4.320 0.016 0.000 0.215 443 A C 1.915 179.503 177.584 0.007 0.000 1.186 443 A CA 1.336 53.383 52.037 0.017 0.000 0.616 443 A CB -0.073 18.931 19.000 0.007 0.000 0.823 443 A HN 0.072 nan 8.150 nan 0.000 0.442 444 K N -0.807 119.601 120.400 0.013 0.000 2.374 444 K HA 0.143 4.472 4.320 0.016 0.000 0.196 444 K C 1.842 178.376 176.600 -0.110 0.000 1.023 444 K CA -0.188 56.075 56.287 -0.040 0.000 1.103 444 K CB 0.186 32.684 32.500 -0.005 0.000 0.848 444 K HN 0.364 nan 8.250 nan 0.000 0.528 445 R N 0.784 121.252 120.500 -0.052 0.000 2.082 445 R HA -0.070 4.279 4.340 0.016 0.000 0.228 445 R C 2.292 178.550 176.300 -0.069 0.000 1.140 445 R CA 1.596 57.657 56.100 -0.066 0.000 0.920 445 R CB -0.311 29.978 30.300 -0.017 0.000 0.828 445 R HN 0.115 nan 8.270 nan 0.000 0.430 446 M N 0.650 120.228 119.600 -0.037 0.000 2.113 446 M HA -0.169 4.320 4.480 0.016 0.000 0.255 446 M C -0.948 175.318 176.300 -0.056 0.000 1.073 446 M CA 2.243 57.521 55.300 -0.038 0.000 1.091 446 M CB -0.802 31.787 32.600 -0.018 0.000 1.309 446 M HN -0.003 nan 8.290 nan 0.000 0.407 447 P HA -0.124 nan 4.420 nan 0.000 0.217 447 P C 1.648 178.872 177.300 -0.127 0.000 1.150 447 P CA 1.208 64.255 63.100 -0.089 0.000 0.832 447 P CB -0.395 31.248 31.700 -0.095 0.000 0.787 448 c N -0.200 118.306 118.600 -0.157 0.000 2.432 448 c HA -0.037 4.542 4.570 0.016 0.000 0.277 448 c C 2.831 176.862 174.090 -0.098 0.000 1.249 448 c CA 1.532 57.748 56.329 -0.188 0.000 1.725 448 c CB -1.634 40.710 42.510 -0.277 0.000 2.028 448 c HN 0.221 nan 8.230 nan 0.000 0.477 449 A N 0.616 123.408 122.820 -0.046 0.000 1.865 449 A HA -0.278 4.052 4.320 0.016 0.000 0.217 449 A C 2.170 179.754 177.584 0.001 0.000 1.191 449 A CA 2.213 54.257 52.037 0.012 0.000 0.623 449 A CB -1.209 17.790 19.000 -0.002 0.000 0.826 449 A HN 0.854 nan 8.150 nan 0.000 0.444 450 E N -0.582 119.597 120.200 -0.035 0.000 2.130 450 E HA -0.307 4.053 4.350 0.016 0.000 0.196 450 E C 1.603 178.173 176.600 -0.050 0.000 0.998 450 E CA 1.554 57.934 56.400 -0.033 0.000 0.806 450 E CB -0.326 29.353 29.700 -0.036 0.000 0.738 450 E HN 0.522 nan 8.360 nan 0.000 0.459 451 D N -0.553 119.775 120.400 -0.120 0.000 2.092 451 D HA -0.182 4.467 4.640 0.016 0.000 0.193 451 D C 1.701 177.865 176.300 -0.227 0.000 0.994 451 D CA 1.258 55.123 54.000 -0.224 0.000 0.828 451 D CB -0.191 40.360 40.800 -0.415 0.000 0.963 451 D HN 0.325 nan 8.370 nan 0.000 0.450 452 Y N -0.071 120.229 120.300 0.000 0.000 2.231 452 Y HA -0.008 4.551 4.550 0.015 0.000 0.294 452 Y C 2.121 178.019 175.900 -0.005 0.000 1.120 452 Y CA 0.010 58.114 58.100 0.006 0.000 1.141 452 Y CB -0.726 37.736 38.460 0.004 0.000 1.022 452 Y HN -0.043 nan 8.280 nan 0.000 0.523 453 L N 0.287 121.589 121.223 0.133 0.000 2.051 453 L HA -0.291 4.059 4.340 0.016 0.000 0.214 453 L C 2.613 179.496 176.870 0.023 0.000 1.076 453 L CA 2.231 57.103 54.840 0.053 0.000 0.758 453 L CB -1.491 40.583 42.059 0.025 0.000 0.890 453 L HN 0.384 nan 8.230 nan 0.000 0.433 454 S N -0.896 114.814 115.700 0.017 0.000 2.369 454 S HA -0.242 4.237 4.470 0.016 0.000 0.225 454 S C 2.016 176.623 174.600 0.011 0.000 1.043 454 S CA 2.299 60.499 58.200 0.000 0.000 1.074 454 S CB -1.608 61.580 63.200 -0.019 0.000 0.962 454 S HN 0.374 nan 8.310 nan 0.000 0.433 455 V N 0.340 120.276 119.914 0.037 0.000 2.427 455 V HA -0.030 4.100 4.120 0.016 0.000 0.248 455 V C 2.404 178.520 176.094 0.037 0.000 1.051 455 V CA 1.328 63.657 62.300 0.049 0.000 1.048 455 V CB -1.415 30.461 31.823 0.088 0.000 0.666 455 V HN 0.408 nan 8.190 nan 0.000 0.456 456 V N 0.049 119.984 119.914 0.036 0.000 2.233 456 V HA -0.225 3.905 4.120 0.016 0.000 0.247 456 V C 2.640 178.701 176.094 -0.055 0.000 1.050 456 V CA 2.279 64.576 62.300 -0.004 0.000 1.010 456 V CB -0.776 31.041 31.823 -0.010 0.000 0.637 456 V HN 0.442 nan 8.190 nan 0.000 0.444 457 L N 0.519 121.697 121.223 -0.075 0.000 2.042 457 L HA -0.177 4.172 4.340 0.016 0.000 0.210 457 L C 2.242 179.086 176.870 -0.044 0.000 1.076 457 L CA 2.109 56.877 54.840 -0.121 0.000 0.749 457 L CB -1.543 40.471 42.059 -0.075 0.000 0.893 457 L HN 0.454 nan 8.230 nan 0.000 0.432 458 N N -1.260 117.438 118.700 -0.003 0.000 2.223 458 N HA -0.189 4.561 4.740 0.016 0.000 0.185 458 N C 1.809 177.331 175.510 0.021 0.000 1.016 458 N CA 0.871 53.934 53.050 0.022 0.000 0.863 458 N CB 0.082 38.583 38.487 0.024 0.000 0.983 458 N HN 0.237 nan 8.380 nan 0.000 0.429 459 Q N 0.158 119.964 119.800 0.010 0.000 2.084 459 Q HA -0.089 4.260 4.340 0.016 0.000 0.202 459 Q C 2.032 178.037 176.000 0.009 0.000 0.978 459 Q CA 0.707 56.518 55.803 0.014 0.000 0.844 459 Q CB -0.776 27.969 28.738 0.011 0.000 0.898 459 Q HN 0.430 nan 8.270 nan 0.000 0.426 460 L N 0.236 121.444 121.223 -0.025 0.000 2.079 460 L HA -0.195 4.155 4.340 0.016 0.000 0.210 460 L C 2.112 179.005 176.870 0.039 0.000 1.081 460 L CA 1.816 56.636 54.840 -0.034 0.000 0.752 460 L CB -0.604 41.363 42.059 -0.153 0.000 0.896 460 L HN 0.183 nan 8.230 nan 0.000 0.433 461 c N -2.373 116.257 118.600 0.051 0.000 2.486 461 c HA -0.005 4.574 4.570 0.016 0.000 0.279 461 c C 2.680 176.829 174.090 0.098 0.000 1.302 461 c CA 0.477 56.862 56.329 0.093 0.000 1.720 461 c CB -0.750 41.812 42.510 0.087 0.000 2.030 461 c HN 0.455 nan 8.230 nan 0.000 0.490 462 V N 1.708 121.661 119.914 0.065 0.000 2.392 462 V HA -0.241 3.889 4.120 0.016 0.000 0.249 462 V C 2.318 178.446 176.094 0.055 0.000 1.059 462 V CA 1.947 64.278 62.300 0.052 0.000 1.051 462 V CB -0.621 31.225 31.823 0.038 0.000 0.658 462 V HN 0.555 nan 8.190 nan 0.000 0.455 463 L N -1.175 120.085 121.223 0.061 0.000 2.007 463 L HA -0.150 4.199 4.340 0.016 0.000 0.205 463 L C 2.632 179.542 176.870 0.066 0.000 1.073 463 L CA 1.965 56.836 54.840 0.050 0.000 0.744 463 L CB -1.173 40.912 42.059 0.044 0.000 0.898 463 L HN 0.354 nan 8.230 nan 0.000 0.435 464 H N 0.583 119.661 119.070 0.014 0.000 2.394 464 H HA -0.251 4.315 4.556 0.017 0.000 0.297 464 H C 2.162 177.501 175.328 0.019 0.000 1.113 464 H CA 2.271 58.331 56.048 0.021 0.000 1.277 464 H CB 0.213 29.998 29.762 0.037 0.000 1.370 464 H HN 0.432 nan 8.280 nan 0.000 0.506 465 E N 0.625 120.912 120.200 0.144 0.000 2.023 465 E HA -0.181 4.178 4.350 0.016 0.000 0.196 465 E C 2.299 178.910 176.600 0.018 0.000 1.003 465 E CA 1.469 57.920 56.400 0.085 0.000 0.809 465 E CB 0.098 29.837 29.700 0.064 0.000 0.755 465 E HN 0.440 nan 8.360 nan 0.000 0.449 466 K N -0.675 119.729 120.400 0.008 0.000 2.059 466 K HA -0.138 4.191 4.320 0.016 0.000 0.212 466 K C 0.827 177.403 176.600 -0.041 0.000 1.050 466 K CA 1.678 57.958 56.287 -0.012 0.000 0.927 466 K CB -0.229 32.267 32.500 -0.007 0.000 0.714 466 K HN 0.278 nan 8.250 nan 0.000 0.447 467 T N 0.106 114.611 114.554 -0.081 0.000 3.305 467 T HA 0.242 4.602 4.350 0.016 0.000 0.348 467 T C -2.825 171.707 174.700 -0.280 0.000 1.394 467 T CA -1.922 60.103 62.100 -0.125 0.000 1.549 467 T CB 1.221 70.035 68.868 -0.090 0.000 0.962 467 T HN -0.137 nan 8.240 nan 0.000 0.609 468 P HA 0.100 nan 4.420 nan 0.000 0.266 468 P C 0.294 177.325 177.300 -0.448 0.000 1.186 468 P CA -0.106 62.658 63.100 -0.561 0.000 0.767 468 P CB 1.184 32.802 31.700 -0.137 0.000 0.820 469 V N 0.083 119.709 119.914 -0.480 0.000 3.180 469 V HA 0.100 4.230 4.120 0.016 0.000 0.246 469 V C 0.655 176.840 176.094 0.153 0.000 1.545 469 V CA 0.645 62.905 62.300 -0.066 0.000 1.138 469 V CB 0.834 32.631 31.823 -0.045 0.000 0.978 469 V HN 0.626 nan 8.190 nan 0.000 0.437 470 S N 0.757 116.705 115.700 0.412 0.000 2.557 470 S HA 0.306 4.785 4.470 0.016 0.000 0.291 470 S C 0.478 175.193 174.600 0.191 0.000 1.116 470 S CA -0.103 58.245 58.200 0.247 0.000 0.992 470 S CB 1.682 64.993 63.200 0.185 0.000 1.028 470 S HN 0.560 nan 8.310 nan 0.000 0.484 471 D N 4.356 124.817 120.400 0.103 0.000 2.224 471 D HA -0.108 4.542 4.640 0.016 0.000 0.205 471 D C 1.406 177.704 176.300 -0.004 0.000 0.965 471 D CA 0.692 54.727 54.000 0.057 0.000 0.852 471 D CB 0.002 40.825 40.800 0.038 0.000 0.947 471 D HN 0.481 nan 8.370 nan 0.000 0.494 472 R N 0.333 120.825 120.500 -0.013 0.000 2.075 472 R HA 0.003 4.352 4.340 0.016 0.000 0.232 472 R C 2.558 178.770 176.300 -0.148 0.000 1.126 472 R CA 0.894 56.954 56.100 -0.066 0.000 0.963 472 R CB -0.178 30.104 30.300 -0.030 0.000 0.858 472 R HN 0.077 nan 8.270 nan 0.000 0.435 473 V N 0.181 120.008 119.914 -0.145 0.000 2.548 473 V HA -0.185 3.945 4.120 0.016 0.000 0.249 473 V C 1.886 177.806 176.094 -0.290 0.000 1.055 473 V CA 2.022 64.198 62.300 -0.207 0.000 1.065 473 V CB -0.380 31.230 31.823 -0.356 0.000 0.681 473 V HN 0.400 nan 8.190 nan 0.000 0.462 474 T N -0.020 114.385 114.554 -0.249 0.000 2.867 474 T HA -0.123 4.236 4.350 0.016 0.000 0.268 474 T C 2.283 176.924 174.700 -0.099 0.000 1.057 474 T CA 1.815 63.848 62.100 -0.111 0.000 1.136 474 T CB -0.314 68.572 68.868 0.030 0.000 0.874 474 T HN 0.670 nan 8.240 nan 0.000 0.466 475 K N 0.709 121.033 120.400 -0.126 0.000 2.025 475 K HA -0.070 4.259 4.320 0.016 0.000 0.207 475 K C 2.528 179.017 176.600 -0.185 0.000 1.049 475 K CA 1.574 57.786 56.287 -0.125 0.000 0.933 475 K CB -1.505 30.923 32.500 -0.119 0.000 0.714 475 K HN 0.564 nan 8.250 nan 0.000 0.438 476 c N -0.380 118.017 118.600 -0.338 0.000 2.457 476 c HA -0.033 4.546 4.570 0.016 0.000 0.278 476 c C 2.932 176.844 174.090 -0.297 0.000 1.309 476 c CA 0.420 56.451 56.329 -0.497 0.000 1.735 476 c CB -1.001 40.769 42.510 -1.234 0.000 1.992 476 c HN 0.762 nan 8.230 nan 0.000 0.493 477 c N 1.250 119.741 118.600 -0.183 0.000 2.446 477 c HA -0.078 4.501 4.570 0.016 0.000 0.277 477 c C 2.863 176.966 174.090 0.022 0.000 1.275 477 c CA 2.031 58.359 56.329 -0.002 0.000 1.727 477 c CB -1.433 41.096 42.510 0.030 0.000 2.010 477 c HN 0.797 nan 8.230 nan 0.000 0.486 478 T N -0.358 114.195 114.554 -0.002 0.000 3.100 478 T HA 0.017 4.376 4.350 0.016 0.000 0.253 478 T C 0.584 175.314 174.700 0.050 0.000 1.118 478 T CA 0.292 62.408 62.100 0.027 0.000 1.058 478 T CB -0.308 68.563 68.868 0.005 0.000 0.953 478 T HN 0.830 nan 8.240 nan 0.000 0.515 479 E N 2.398 122.604 120.200 0.011 0.000 2.766 479 E HA 0.164 4.524 4.350 0.016 0.000 0.261 479 E C 0.365 177.012 176.600 0.079 0.000 1.427 479 E CA -0.390 56.019 56.400 0.015 0.000 1.085 479 E CB 0.178 29.843 29.700 -0.059 0.000 1.074 479 E HN 0.229 nan 8.360 nan 0.000 0.651 480 S N 0.085 115.807 115.700 0.038 0.000 2.546 480 S HA -0.058 4.422 4.470 0.016 0.000 0.290 480 S C 1.217 175.760 174.600 -0.095 0.000 1.290 480 S CA -0.528 57.669 58.200 -0.005 0.000 1.069 480 S CB 0.196 63.370 63.200 -0.043 0.000 0.846 480 S HN 0.599 nan 8.310 nan 0.000 0.495 481 L N 4.187 125.239 121.223 -0.286 0.000 2.079 481 L HA -0.080 4.269 4.340 0.016 0.000 0.210 481 L C 2.346 179.097 176.870 -0.198 0.000 1.081 481 L CA 1.231 55.902 54.840 -0.282 0.000 0.752 481 L CB -0.471 41.250 42.059 -0.564 0.000 0.896 481 L HN 0.712 nan 8.230 nan 0.000 0.433 482 V N -0.189 119.597 119.914 -0.213 0.000 2.809 482 V HA -0.181 3.948 4.120 0.016 0.000 0.256 482 V C 1.612 177.648 176.094 -0.097 0.000 1.080 482 V CA 1.274 63.491 62.300 -0.138 0.000 1.102 482 V CB -0.463 31.281 31.823 -0.131 0.000 0.705 482 V HN 0.496 nan 8.190 nan 0.000 0.475 483 N N -0.799 117.848 118.700 -0.089 0.000 2.220 483 N HA 0.117 4.866 4.740 0.016 0.000 0.195 483 N C 1.687 177.161 175.510 -0.061 0.000 1.123 483 N CA -0.010 52.998 53.050 -0.070 0.000 0.874 483 N CB 0.117 38.563 38.487 -0.068 0.000 0.995 483 N HN 0.362 nan 8.380 nan 0.000 0.498 484 R N 1.144 121.619 120.500 -0.042 0.000 2.143 484 R HA -0.123 4.227 4.340 0.016 0.000 0.239 484 R C 2.127 178.482 176.300 0.091 0.000 1.126 484 R CA 1.618 57.722 56.100 0.007 0.000 0.927 484 R CB -0.039 30.306 30.300 0.075 0.000 0.860 484 R HN 0.050 nan 8.270 nan 0.000 0.433 485 R N -0.000 120.562 120.500 0.103 0.000 2.097 485 R HA -0.122 4.227 4.340 0.016 0.000 0.236 485 R C -0.798 175.555 176.300 0.089 0.000 1.135 485 R CA 2.138 58.312 56.100 0.124 0.000 0.934 485 R CB -1.567 28.760 30.300 0.044 0.000 0.846 485 R HN 0.234 nan 8.270 nan 0.000 0.431 486 P HA -0.158 nan 4.420 nan 0.000 0.215 486 P C 1.741 179.030 177.300 -0.018 0.000 1.157 486 P CA 1.199 64.296 63.100 -0.005 0.000 0.874 486 P CB -0.392 31.287 31.700 -0.035 0.000 0.790 487 c N -1.931 116.623 118.600 -0.076 0.000 2.398 487 c HA -0.205 4.375 4.570 0.016 0.000 0.276 487 c C 2.453 176.433 174.090 -0.183 0.000 1.222 487 c CA 0.960 57.183 56.329 -0.177 0.000 1.746 487 c CB -2.146 40.170 42.510 -0.323 0.000 2.039 487 c HN 0.058 nan 8.230 nan 0.000 0.470 488 F N 1.609 121.522 119.950 -0.061 0.000 2.113 488 F HA -0.060 4.479 4.527 0.019 0.000 0.297 488 F C 2.756 178.530 175.800 -0.044 0.000 1.103 488 F CA 1.963 59.917 58.000 -0.077 0.000 1.248 488 F CB -0.904 38.021 39.000 -0.125 0.000 0.999 488 F HN 0.129 nan 8.300 nan 0.000 0.475 489 S N -0.031 115.770 115.700 0.169 0.000 2.465 489 S HA -0.159 4.320 4.470 0.016 0.000 0.241 489 S C 2.193 176.840 174.600 0.080 0.000 1.000 489 S CA 0.846 59.116 58.200 0.117 0.000 0.964 489 S CB -0.629 62.619 63.200 0.081 0.000 0.763 489 S HN 0.371 nan 8.310 nan 0.000 0.512 490 A N 1.354 124.202 122.820 0.046 0.000 1.935 490 A HA 0.276 4.605 4.320 0.016 0.000 0.214 490 A C 0.870 178.466 177.584 0.020 0.000 1.178 490 A CA 0.128 52.175 52.037 0.017 0.000 0.640 490 A CB -0.528 18.461 19.000 -0.019 0.000 0.825 490 A HN 0.424 nan 8.150 nan 0.000 0.447 491 L N 0.816 122.054 121.223 0.024 0.000 2.628 491 L HA 0.231 4.580 4.340 0.016 0.000 0.292 491 L C 0.891 177.787 176.870 0.044 0.000 1.250 491 L CA 0.416 55.273 54.840 0.029 0.000 0.892 491 L CB -0.259 41.835 42.059 0.058 0.000 1.138 491 L HN 0.579 nan 8.230 nan 0.000 0.502 492 E N 2.786 123.005 120.200 0.031 0.000 2.243 492 E HA 0.546 4.905 4.350 0.016 0.000 0.260 492 E C -0.338 176.282 176.600 0.032 0.000 0.985 492 E CA -0.853 55.566 56.400 0.031 0.000 0.858 492 E CB 1.162 30.875 29.700 0.022 0.000 1.210 492 E HN 0.392 nan 8.360 nan 0.000 0.411 493 V N 2.313 122.244 119.914 0.028 0.000 2.584 493 V HA -0.013 4.116 4.120 0.016 0.000 0.303 493 V C 0.471 176.583 176.094 0.029 0.000 1.035 493 V CA 0.125 62.439 62.300 0.023 0.000 1.172 493 V CB 0.684 32.519 31.823 0.020 0.000 0.896 493 V HN 0.804 nan 8.190 nan 0.000 0.486 494 D N 4.867 125.283 120.400 0.027 0.000 2.363 494 D HA 0.014 4.663 4.640 0.016 0.000 0.263 494 D C 1.048 177.397 176.300 0.082 0.000 1.258 494 D CA 0.033 54.064 54.000 0.052 0.000 0.907 494 D CB 1.009 41.839 40.800 0.050 0.000 1.107 494 D HN 0.557 nan 8.370 nan 0.000 0.495 495 E N 2.061 122.303 120.200 0.070 0.000 2.250 495 E HA -0.046 4.314 4.350 0.016 0.000 0.192 495 E C 1.604 178.250 176.600 0.077 0.000 0.986 495 E CA 0.450 56.890 56.400 0.067 0.000 0.849 495 E CB 0.107 29.832 29.700 0.043 0.000 0.797 495 E HN 0.488 nan 8.360 nan 0.000 0.482 496 T N 0.897 115.502 114.554 0.084 0.000 2.614 496 T HA -0.189 4.170 4.350 0.016 0.000 0.263 496 T C 0.688 175.444 174.700 0.093 0.000 1.055 496 T CA 0.639 62.783 62.100 0.073 0.000 1.162 496 T CB -0.639 68.273 68.868 0.072 0.000 0.863 496 T HN 0.189 nan 8.240 nan 0.000 0.414 497 Y N 3.194 123.499 120.300 0.009 0.000 3.147 497 Y HA -0.037 4.522 4.550 0.015 0.000 0.363 497 Y C -0.345 175.555 175.900 -0.001 0.000 1.228 497 Y CA -0.655 57.450 58.100 0.008 0.000 1.590 497 Y CB 0.066 38.535 38.460 0.014 0.000 1.111 497 Y HN 0.015 nan 8.280 nan 0.000 0.604 498 V N 7.864 127.377 119.914 -0.669 0.000 2.328 498 V HA 0.370 4.499 4.120 0.016 0.000 0.278 498 V C -1.992 173.645 176.094 -0.762 0.000 1.021 498 V CA -2.331 59.666 62.300 -0.504 0.000 0.838 498 V CB 0.692 32.339 31.823 -0.292 0.000 0.999 498 V HN 0.705 nan 8.190 nan 0.000 0.447 499 P HA 0.120 nan 4.420 nan 0.000 0.269 499 P C 0.186 177.346 177.300 -0.234 0.000 1.185 499 P CA 0.704 63.670 63.100 -0.223 0.000 0.769 499 P CB 0.260 31.866 31.700 -0.156 0.000 0.809 500 K N 0.920 121.262 120.400 -0.097 0.000 2.144 500 K HA 0.564 4.893 4.320 0.016 0.000 0.270 500 K C 0.558 177.128 176.600 -0.049 0.000 1.005 500 K CA -0.074 56.197 56.287 -0.027 0.000 0.932 500 K CB -0.438 32.129 32.500 0.111 0.000 1.021 500 K HN 0.698 nan 8.250 nan 0.000 0.462 501 E N 1.316 121.538 120.200 0.036 0.000 2.414 501 E HA 0.427 4.786 4.350 0.016 0.000 0.263 501 E C -0.129 176.674 176.600 0.338 0.000 1.000 501 E CA -0.445 56.036 56.400 0.134 0.000 0.914 501 E CB -0.082 29.679 29.700 0.102 0.000 0.948 501 E HN 0.789 nan 8.360 nan 0.000 0.444 502 F N 2.650 122.851 119.950 0.418 0.000 2.646 502 F HA 0.173 4.709 4.527 0.015 0.000 0.363 502 F C 0.652 176.576 175.800 0.206 0.000 1.143 502 F CA 1.028 59.236 58.000 0.346 0.000 1.356 502 F CB 0.679 39.787 39.000 0.180 0.000 1.055 502 F HN 0.541 nan 8.300 nan 0.000 0.606 503 N N 3.725 121.850 118.700 -0.959 0.000 2.655 503 N HA 0.256 5.005 4.740 0.016 0.000 0.277 503 N C -0.223 174.812 175.510 -0.792 0.000 1.177 503 N CA 0.267 52.949 53.050 -0.613 0.000 0.882 503 N CB 1.654 40.002 38.487 -0.231 0.000 1.481 503 N HN 0.775 nan 8.380 nan 0.000 0.547 504 A N 2.453 124.897 122.820 -0.627 0.000 2.066 504 A HA -0.001 4.328 4.320 0.016 0.000 0.218 504 A C 1.861 179.419 177.584 -0.043 0.000 1.157 504 A CA 2.016 53.983 52.037 -0.116 0.000 0.670 504 A CB -0.419 18.733 19.000 0.255 0.000 0.804 504 A HN 0.768 nan 8.150 nan 0.000 0.453 505 E N -0.557 119.585 120.200 -0.097 0.000 2.118 505 E HA -0.173 4.186 4.350 0.016 0.000 0.195 505 E C 1.866 178.358 176.600 -0.181 0.000 0.992 505 E CA 1.890 58.238 56.400 -0.087 0.000 0.804 505 E CB -1.553 28.108 29.700 -0.065 0.000 0.741 505 E HN 0.582 nan 8.360 nan 0.000 0.458 506 T N -0.664 113.698 114.554 -0.321 0.000 3.085 506 T HA 0.144 4.504 4.350 0.016 0.000 0.263 506 T C 0.099 174.263 174.700 -0.892 0.000 1.127 506 T CA 0.640 62.385 62.100 -0.592 0.000 1.103 506 T CB -0.220 68.190 68.868 -0.763 0.000 0.921 506 T HN 0.422 nan 8.240 nan 0.000 0.510 507 F N 1.017 120.865 119.950 -0.169 0.000 2.841 507 F HA 0.326 4.862 4.527 0.015 0.000 0.358 507 F C 0.402 176.159 175.800 -0.072 0.000 1.261 507 F CA -0.711 57.221 58.000 -0.113 0.000 1.233 507 F CB 0.385 39.316 39.000 -0.115 0.000 1.008 507 F HN -0.213 nan 8.300 nan 0.000 0.507 508 T N 1.316 115.850 114.554 -0.034 0.000 2.821 508 T HA 0.551 4.910 4.350 0.016 0.000 0.307 508 T C -0.327 174.227 174.700 -0.243 0.000 1.034 508 T CA -0.151 61.886 62.100 -0.106 0.000 0.953 508 T CB -0.251 68.538 68.868 -0.132 0.000 0.968 508 T HN 0.125 nan 8.240 nan 0.000 0.462 509 F N 2.303 122.168 119.950 -0.141 0.000 2.420 509 F HA 0.664 5.200 4.527 0.016 0.000 0.342 509 F C 0.140 175.854 175.800 -0.143 0.000 1.113 509 F CA -1.343 56.599 58.000 -0.095 0.000 1.059 509 F CB 0.119 39.198 39.000 0.132 0.000 1.128 509 F HN 0.828 nan 8.300 nan 0.000 0.475 510 H N 2.206 121.335 119.070 0.099 0.000 2.499 510 H HA 0.543 5.109 4.556 0.016 0.000 0.340 510 H C 1.162 176.527 175.328 0.061 0.000 1.148 510 H CA -0.224 55.869 56.048 0.074 0.000 1.215 510 H CB 2.227 32.019 29.762 0.051 0.000 1.529 510 H HN 0.923 nan 8.280 nan 0.000 0.510 511 A N 1.770 124.693 122.820 0.173 0.000 2.309 511 A HA -0.186 4.143 4.320 0.016 0.000 0.210 511 A C 1.149 178.777 177.584 0.072 0.000 1.216 511 A CA 1.354 53.442 52.037 0.084 0.000 0.731 511 A CB -0.616 18.410 19.000 0.043 0.000 0.762 511 A HN 0.798 nan 8.150 nan 0.000 0.497 512 D N 0.550 121.011 120.400 0.102 0.000 2.224 512 D HA -0.175 4.475 4.640 0.016 0.000 0.205 512 D C 1.787 178.124 176.300 0.061 0.000 0.965 512 D CA 1.270 55.314 54.000 0.073 0.000 0.852 512 D CB -0.631 40.221 40.800 0.086 0.000 0.947 512 D HN 0.808 nan 8.370 nan 0.000 0.494 513 I N -0.237 120.378 120.570 0.075 0.000 2.700 513 I HA -0.190 3.989 4.170 0.016 0.000 0.261 513 I C 1.625 177.768 176.117 0.044 0.000 1.219 513 I CA 0.817 62.158 61.300 0.067 0.000 1.463 513 I CB -0.371 37.686 38.000 0.095 0.000 1.092 513 I HN -0.102 nan 8.210 nan 0.000 0.452 514 c N 0.110 118.729 118.600 0.032 0.000 2.450 514 c HA -0.021 4.558 4.570 0.016 0.000 0.279 514 c C 2.161 176.256 174.090 0.009 0.000 1.335 514 c CA 0.966 57.301 56.329 0.011 0.000 1.749 514 c CB -1.521 40.989 42.510 -0.001 0.000 1.963 514 c HN 0.677 nan 8.230 nan 0.000 0.501 515 T N 0.863 115.426 114.554 0.015 0.000 3.221 515 T HA 0.540 4.900 4.350 0.016 0.000 0.246 515 T C -0.455 174.254 174.700 0.016 0.000 0.952 515 T CA 0.017 62.124 62.100 0.012 0.000 0.994 515 T CB -0.761 68.114 68.868 0.011 0.000 1.127 515 T HN 0.327 nan 8.240 nan 0.000 0.549 516 L N 2.014 123.247 121.223 0.016 0.000 2.381 516 L HA 0.561 4.910 4.340 0.016 0.000 0.268 516 L C 0.465 177.341 176.870 0.010 0.000 0.997 516 L CA -1.127 53.724 54.840 0.018 0.000 0.818 516 L CB 2.296 44.372 42.059 0.028 0.000 1.310 516 L HN 0.377 nan 8.230 nan 0.000 0.416 517 S N 0.420 116.126 115.700 0.010 0.000 2.558 517 S HA 0.060 4.539 4.470 0.016 0.000 0.288 517 S C 1.268 175.867 174.600 -0.001 0.000 1.318 517 S CA 0.276 58.479 58.200 0.005 0.000 1.056 517 S CB 1.239 64.445 63.200 0.009 0.000 0.853 517 S HN 0.805 nan 8.310 nan 0.000 0.505 518 E N 2.783 122.974 120.200 -0.014 0.000 2.253 518 E HA -0.221 4.138 4.350 0.016 0.000 0.202 518 E C 2.162 178.749 176.600 -0.022 0.000 1.014 518 E CA 2.610 58.989 56.400 -0.035 0.000 0.823 518 E CB -1.834 27.838 29.700 -0.048 0.000 0.736 518 E HN 1.053 nan 8.360 nan 0.000 0.478 519 K N -0.324 120.078 120.400 0.002 0.000 1.984 519 K HA 0.058 4.387 4.320 0.016 0.000 0.209 519 K C 2.556 179.175 176.600 0.032 0.000 1.046 519 K CA 2.381 58.681 56.287 0.023 0.000 0.934 519 K CB -1.496 31.019 32.500 0.025 0.000 0.717 519 K HN 0.834 nan 8.250 nan 0.000 0.438 520 E N 1.128 121.345 120.200 0.027 0.000 2.153 520 E HA -0.168 4.191 4.350 0.016 0.000 0.194 520 E C 2.236 178.860 176.600 0.041 0.000 0.988 520 E CA 1.359 57.779 56.400 0.033 0.000 0.811 520 E CB -0.459 29.258 29.700 0.029 0.000 0.746 520 E HN 0.629 nan 8.360 nan 0.000 0.466 521 R N -0.440 120.079 120.500 0.031 0.000 2.082 521 R HA -0.186 4.163 4.340 0.016 0.000 0.234 521 R C 2.861 179.199 176.300 0.063 0.000 1.136 521 R CA 2.086 58.208 56.100 0.037 0.000 0.935 521 R CB -0.224 30.076 30.300 -0.001 0.000 0.842 521 R HN 0.605 nan 8.270 nan 0.000 0.430 522 Q N 0.162 119.993 119.800 0.051 0.000 1.975 522 Q HA -0.175 4.174 4.340 0.016 0.000 0.205 522 Q C 2.216 178.320 176.000 0.172 0.000 0.990 522 Q CA 1.817 57.723 55.803 0.170 0.000 0.845 522 Q CB -0.278 28.591 28.738 0.218 0.000 0.913 522 Q HN 0.373 nan 8.270 nan 0.000 0.420 523 I N 0.884 121.520 120.570 0.111 0.000 2.300 523 I HA -0.336 3.843 4.170 0.016 0.000 0.252 523 I C 2.394 178.542 176.117 0.051 0.000 1.119 523 I CA 1.175 62.517 61.300 0.071 0.000 1.384 523 I CB -0.384 37.644 38.000 0.047 0.000 1.062 523 I HN 0.185 nan 8.210 nan 0.000 0.426 524 K N 1.307 121.744 120.400 0.061 0.000 1.991 524 K HA -0.138 4.192 4.320 0.016 0.000 0.207 524 K C 2.140 178.769 176.600 0.048 0.000 1.045 524 K CA 1.425 57.742 56.287 0.049 0.000 0.937 524 K CB -0.151 32.390 32.500 0.069 0.000 0.720 524 K HN 0.358 nan 8.250 nan 0.000 0.438 525 K N 0.976 121.434 120.400 0.097 0.000 2.097 525 K HA -0.166 4.163 4.320 0.016 0.000 0.206 525 K C 2.286 178.881 176.600 -0.009 0.000 1.049 525 K CA 1.316 57.641 56.287 0.064 0.000 0.933 525 K CB -0.143 32.467 32.500 0.183 0.000 0.717 525 K HN 0.173 nan 8.250 nan 0.000 0.442 526 Q N 0.385 120.210 119.800 0.043 0.000 2.124 526 Q HA -0.099 4.250 4.340 0.016 0.000 0.202 526 Q C 1.936 177.909 176.000 -0.045 0.000 0.977 526 Q CA 1.697 57.493 55.803 -0.012 0.000 0.850 526 Q CB -0.031 28.715 28.738 0.014 0.000 0.901 526 Q HN 0.337 nan 8.270 nan 0.000 0.429 527 T N 0.379 114.911 114.554 -0.038 0.000 2.821 527 T HA -0.109 4.250 4.350 0.016 0.000 0.267 527 T C 1.780 176.419 174.700 -0.101 0.000 1.046 527 T CA 1.049 63.112 62.100 -0.061 0.000 1.139 527 T CB -0.170 68.663 68.868 -0.058 0.000 0.871 527 T HN 0.368 nan 8.240 nan 0.000 0.454 528 A N 1.474 124.222 122.820 -0.120 0.000 1.898 528 A HA 0.020 4.350 4.320 0.016 0.000 0.216 528 A C 2.197 179.741 177.584 -0.067 0.000 1.181 528 A CA 1.039 52.981 52.037 -0.159 0.000 0.620 528 A CB -0.832 18.061 19.000 -0.179 0.000 0.819 528 A HN 0.378 nan 8.150 nan 0.000 0.442 529 L N 0.194 121.360 121.223 -0.095 0.000 2.013 529 L HA -0.162 4.187 4.340 0.016 0.000 0.212 529 L C 2.441 179.291 176.870 -0.034 0.000 1.073 529 L CA 2.036 56.829 54.840 -0.078 0.000 0.753 529 L CB -0.732 41.262 42.059 -0.107 0.000 0.890 529 L HN 0.184 nan 8.230 nan 0.000 0.432 530 V N -0.367 119.521 119.914 -0.043 0.000 2.295 530 V HA -0.240 3.889 4.120 0.016 0.000 0.246 530 V C 2.624 178.725 176.094 0.011 0.000 1.049 530 V CA 1.818 64.101 62.300 -0.029 0.000 1.024 530 V CB -0.669 31.131 31.823 -0.039 0.000 0.648 530 V HN 0.444 nan 8.190 nan 0.000 0.447 531 E N -0.072 120.133 120.200 0.008 0.000 2.110 531 E HA -0.210 4.150 4.350 0.016 0.000 0.193 531 E C 2.120 178.867 176.600 0.246 0.000 0.988 531 E CA 1.083 57.521 56.400 0.063 0.000 0.804 531 E CB -0.485 29.142 29.700 -0.122 0.000 0.745 531 E HN 0.457 nan 8.360 nan 0.000 0.458 532 L N 0.768 122.149 121.223 0.263 0.000 2.042 532 L HA -0.148 4.201 4.340 0.016 0.000 0.210 532 L C 2.168 179.129 176.870 0.153 0.000 1.076 532 L CA 1.517 56.500 54.840 0.239 0.000 0.749 532 L CB -0.634 41.496 42.059 0.118 0.000 0.893 532 L HN -0.090 nan 8.230 nan 0.000 0.432 533 V N -0.475 119.496 119.914 0.095 0.000 2.591 533 V HA -0.148 3.981 4.120 0.016 0.000 0.249 533 V C 2.502 178.655 176.094 0.098 0.000 1.053 533 V CA 1.339 63.679 62.300 0.066 0.000 1.068 533 V CB -0.792 31.033 31.823 0.003 0.000 0.689 533 V HN 0.405 nan 8.190 nan 0.000 0.462 534 K N -0.293 120.176 120.400 0.114 0.000 2.283 534 K HA -0.187 4.142 4.320 0.016 0.000 0.202 534 K C 2.033 178.805 176.600 0.288 0.000 1.048 534 K CA 1.548 57.923 56.287 0.146 0.000 0.948 534 K CB -0.155 32.422 32.500 0.127 0.000 0.742 534 K HN 0.639 nan 8.250 nan 0.000 0.458 535 H N 0.281 119.458 119.070 0.178 0.000 2.370 535 H HA 0.034 4.599 4.556 0.016 0.000 0.304 535 H C 0.653 176.062 175.328 0.134 0.000 1.055 535 H CA 1.460 57.611 56.048 0.172 0.000 1.373 535 H CB 0.472 30.342 29.762 0.181 0.000 1.423 535 H HN -0.020 nan 8.280 nan 0.000 0.533 536 K N 1.277 121.841 120.400 0.272 0.000 2.682 536 K HA 0.267 4.597 4.320 0.016 0.000 0.189 536 K C -2.416 174.250 176.600 0.110 0.000 1.062 536 K CA -1.140 55.250 56.287 0.171 0.000 0.997 536 K CB 0.085 32.690 32.500 0.175 0.000 1.405 536 K HN 0.341 nan 8.250 nan 0.000 0.588 537 P HA -0.145 nan 4.420 nan 0.000 0.225 537 P C 0.792 178.123 177.300 0.052 0.000 1.148 537 P CA 0.926 64.072 63.100 0.076 0.000 0.779 537 P CB 0.228 31.996 31.700 0.112 0.000 0.780 538 K N -0.799 119.632 120.400 0.053 0.000 2.444 538 K HA 0.372 4.702 4.320 0.016 0.000 0.193 538 K C 1.306 177.921 176.600 0.025 0.000 1.024 538 K CA 0.262 56.570 56.287 0.036 0.000 1.077 538 K CB -0.655 31.866 32.500 0.034 0.000 0.833 538 K HN 0.303 nan 8.250 nan 0.000 0.517 539 A N 1.790 124.626 122.820 0.027 0.000 2.498 539 A HA 0.307 4.637 4.320 0.016 0.000 0.239 539 A C 0.707 178.294 177.584 0.005 0.000 1.068 539 A CA 0.058 52.104 52.037 0.016 0.000 0.766 539 A CB -0.082 18.927 19.000 0.016 0.000 1.003 539 A HN 0.433 nan 8.150 nan 0.000 0.497 540 T N 1.415 115.969 114.554 0.001 0.000 2.788 540 T HA 0.519 4.879 4.350 0.016 0.000 0.280 540 T C 1.783 176.478 174.700 -0.009 0.000 0.984 540 T CA 0.018 62.117 62.100 -0.003 0.000 0.972 540 T CB 0.697 69.564 68.868 -0.001 0.000 1.039 540 T HN 0.864 nan 8.240 nan 0.000 0.530 541 K N -0.016 120.377 120.400 -0.011 0.000 2.296 541 K HA 0.053 4.382 4.320 0.016 0.000 0.200 541 K C 1.939 178.533 176.600 -0.010 0.000 1.048 541 K CA 1.424 57.702 56.287 -0.016 0.000 0.966 541 K CB -0.709 31.780 32.500 -0.017 0.000 0.754 541 K HN 0.743 nan 8.250 nan 0.000 0.466 542 E N 0.742 120.939 120.200 -0.005 0.000 2.014 542 E HA -0.094 4.266 4.350 0.016 0.000 0.190 542 E C 2.262 178.861 176.600 -0.001 0.000 0.980 542 E CA 1.292 57.691 56.400 -0.001 0.000 0.807 542 E CB -0.023 29.677 29.700 0.001 0.000 0.770 542 E HN 0.631 nan 8.360 nan 0.000 0.451 543 Q N -0.463 119.335 119.800 -0.003 0.000 2.308 543 Q HA -0.177 4.172 4.340 0.016 0.000 0.209 543 Q C 1.934 177.929 176.000 -0.009 0.000 0.985 543 Q CA 0.960 56.760 55.803 -0.004 0.000 0.881 543 Q CB -0.010 28.726 28.738 -0.004 0.000 0.917 543 Q HN 0.235 nan 8.270 nan 0.000 0.443 544 L N -0.037 121.180 121.223 -0.011 0.000 2.253 544 L HA -0.052 4.298 4.340 0.016 0.000 0.205 544 L C 2.122 178.984 176.870 -0.013 0.000 1.078 544 L CA 1.170 55.999 54.840 -0.018 0.000 0.805 544 L CB -0.098 41.946 42.059 -0.026 0.000 0.963 544 L HN -0.066 nan 8.230 nan 0.000 0.459 545 K N 0.110 120.506 120.400 -0.006 0.000 2.147 545 K HA -0.076 4.253 4.320 0.016 0.000 0.205 545 K C 1.877 178.487 176.600 0.017 0.000 1.049 545 K CA 1.458 57.747 56.287 0.005 0.000 0.936 545 K CB -0.247 32.257 32.500 0.006 0.000 0.722 545 K HN 0.277 nan 8.250 nan 0.000 0.446 546 A N 0.198 123.026 122.820 0.013 0.000 1.828 546 A HA -0.111 4.218 4.320 0.016 0.000 0.215 546 A C 2.262 179.864 177.584 0.029 0.000 1.203 546 A CA 1.935 53.984 52.037 0.020 0.000 0.614 546 A CB -1.080 17.926 19.000 0.011 0.000 0.844 546 A HN 0.086 nan 8.150 nan 0.000 0.445 547 V N -0.130 119.792 119.914 0.014 0.000 2.370 547 V HA -0.371 3.759 4.120 0.016 0.000 0.252 547 V C 2.632 178.755 176.094 0.049 0.000 1.068 547 V CA 2.468 64.776 62.300 0.014 0.000 1.061 547 V CB -0.746 31.061 31.823 -0.027 0.000 0.656 547 V HN 0.569 nan 8.190 nan 0.000 0.455 548 M N -0.201 119.419 119.600 0.035 0.000 2.156 548 M HA -0.134 4.355 4.480 0.016 0.000 0.264 548 M C 2.178 178.564 176.300 0.144 0.000 1.067 548 M CA 2.159 57.495 55.300 0.061 0.000 1.131 548 M CB -0.686 31.927 32.600 0.022 0.000 1.368 548 M HN 0.641 nan 8.290 nan 0.000 0.416 549 D N -0.151 120.313 120.400 0.106 0.000 2.097 549 D HA -0.199 4.451 4.640 0.016 0.000 0.197 549 D C 1.562 177.942 176.300 0.134 0.000 0.984 549 D CA 1.621 55.688 54.000 0.111 0.000 0.826 549 D CB -0.713 40.130 40.800 0.072 0.000 0.973 549 D HN 0.335 nan 8.370 nan 0.000 0.460 550 D N -0.985 119.488 120.400 0.122 0.000 2.104 550 D HA -0.090 4.559 4.640 0.016 0.000 0.194 550 D C 1.661 178.071 176.300 0.183 0.000 0.994 550 D CA 0.767 54.841 54.000 0.124 0.000 0.830 550 D CB -0.617 40.237 40.800 0.090 0.000 0.959 550 D HN 0.499 nan 8.370 nan 0.000 0.452 551 F N 1.126 121.097 119.950 0.035 0.000 2.293 551 F HA -0.064 4.473 4.527 0.016 0.000 0.300 551 F C 2.024 177.910 175.800 0.143 0.000 1.086 551 F CA 1.050 59.069 58.000 0.031 0.000 1.375 551 F CB -0.074 38.910 39.000 -0.027 0.000 1.045 551 F HN -0.081 nan 8.300 nan 0.000 0.516 552 A N 0.753 123.763 122.820 0.318 0.000 1.835 552 A HA -0.112 4.218 4.320 0.016 0.000 0.215 552 A C 2.476 180.131 177.584 0.118 0.000 1.199 552 A CA 2.053 54.225 52.037 0.225 0.000 0.615 552 A CB -1.676 17.431 19.000 0.179 0.000 0.838 552 A HN 0.455 nan 8.150 nan 0.000 0.444 553 A N -1.335 121.547 122.820 0.103 0.000 1.940 553 A HA -0.098 4.231 4.320 0.016 0.000 0.219 553 A C 2.046 179.651 177.584 0.035 0.000 1.176 553 A CA 1.766 53.838 52.037 0.057 0.000 0.631 553 A CB -0.845 18.189 19.000 0.056 0.000 0.814 553 A HN 0.802 nan 8.150 nan 0.000 0.446 554 F N 1.207 121.091 119.950 -0.109 0.000 2.043 554 F HA -0.285 4.251 4.527 0.016 0.000 0.297 554 F C 2.171 177.850 175.800 -0.202 0.000 1.118 554 F CA 2.549 60.445 58.000 -0.173 0.000 1.202 554 F CB -0.502 38.332 39.000 -0.277 0.000 0.965 554 F HN 0.052 nan 8.300 nan 0.000 0.482 555 V N 0.402 120.263 119.914 -0.090 0.000 2.392 555 V HA -0.288 3.842 4.120 0.016 0.000 0.249 555 V C 2.723 178.712 176.094 -0.175 0.000 1.059 555 V CA 2.403 64.604 62.300 -0.165 0.000 1.051 555 V CB -2.064 29.722 31.823 -0.062 0.000 0.658 555 V HN 0.596 nan 8.190 nan 0.000 0.455 556 E N 0.053 120.183 120.200 -0.116 0.000 2.204 556 E HA -0.259 4.100 4.350 0.016 0.000 0.195 556 E C 2.304 178.823 176.600 -0.135 0.000 0.990 556 E CA 1.555 57.899 56.400 -0.094 0.000 0.821 556 E CB -0.546 29.123 29.700 -0.051 0.000 0.750 556 E HN 0.512 nan 8.360 nan 0.000 0.477 557 K N -1.136 119.141 120.400 -0.205 0.000 2.296 557 K HA 0.011 4.340 4.320 0.016 0.000 0.200 557 K C 1.896 178.341 176.600 -0.259 0.000 1.048 557 K CA 1.034 57.187 56.287 -0.223 0.000 0.966 557 K CB -0.836 31.514 32.500 -0.249 0.000 0.754 557 K HN 0.813 nan 8.250 nan 0.000 0.466 558 c N -2.608 115.794 118.600 -0.330 0.000 3.123 558 c HA 0.332 4.912 4.570 0.016 0.000 0.399 558 c C 2.171 176.163 174.090 -0.162 0.000 1.320 558 c CA -0.556 55.612 56.329 -0.267 0.000 1.949 558 c CB -0.573 41.710 42.510 -0.378 0.000 2.692 558 c HN 0.579 nan 8.230 nan 0.000 0.623 559 c N 1.711 120.222 118.600 -0.150 0.000 2.551 559 c HA 0.113 4.692 4.570 0.016 0.000 0.284 559 c C 1.942 175.991 174.090 -0.068 0.000 1.329 559 c CA 1.109 57.388 56.329 -0.084 0.000 1.683 559 c CB -1.918 40.553 42.510 -0.064 0.000 1.730 559 c HN 0.635 nan 8.230 nan 0.000 0.591 560 K N -0.432 119.919 120.400 -0.082 0.000 2.585 560 K HA 0.267 4.597 4.320 0.016 0.000 0.210 560 K C 0.276 176.839 176.600 -0.062 0.000 1.294 560 K CA 0.045 56.294 56.287 -0.063 0.000 1.025 560 K CB 0.539 33.002 32.500 -0.062 0.000 1.076 560 K HN 0.295 nan 8.250 nan 0.000 0.613 561 A N 0.613 123.388 122.820 -0.074 0.000 2.316 561 A HA 0.412 4.742 4.320 0.016 0.000 0.284 561 A C 0.815 178.370 177.584 -0.047 0.000 1.115 561 A CA 0.577 52.575 52.037 -0.065 0.000 0.812 561 A CB 0.528 19.479 19.000 -0.083 0.000 1.064 561 A HN 0.362 nan 8.150 nan 0.000 0.489 562 D N 0.734 121.112 120.400 -0.038 0.000 2.182 562 D HA -0.076 4.573 4.640 0.016 0.000 0.201 562 D C 0.375 176.659 176.300 -0.027 0.000 0.986 562 D CA 1.730 55.713 54.000 -0.028 0.000 0.847 562 D CB -0.160 40.626 40.800 -0.024 0.000 0.942 562 D HN 0.658 nan 8.370 nan 0.000 0.467 563 D N -1.558 118.824 120.400 -0.031 0.000 2.303 563 D HA 0.530 5.179 4.640 0.016 0.000 0.236 563 D C 0.913 177.191 176.300 -0.037 0.000 1.068 563 D CA 0.349 54.332 54.000 -0.027 0.000 0.830 563 D CB 1.601 42.386 40.800 -0.024 0.000 1.109 563 D HN 0.281 nan 8.370 nan 0.000 0.496 564 K N 2.692 123.075 120.400 -0.028 0.000 2.189 564 K HA 0.140 4.469 4.320 0.016 0.000 0.218 564 K C 1.630 178.221 176.600 -0.015 0.000 1.031 564 K CA 0.559 56.828 56.287 -0.030 0.000 0.962 564 K CB -1.111 31.378 32.500 -0.019 0.000 1.005 564 K HN 0.585 nan 8.250 nan 0.000 0.459 565 E N 0.585 120.792 120.200 0.011 0.000 2.492 565 E HA -0.140 4.220 4.350 0.016 0.000 0.204 565 E C 2.104 178.734 176.600 0.050 0.000 1.073 565 E CA 1.190 57.617 56.400 0.046 0.000 0.887 565 E CB -0.378 29.343 29.700 0.035 0.000 0.813 565 E HN 0.760 nan 8.360 nan 0.000 0.562 566 T N -0.462 114.104 114.554 0.020 0.000 2.755 566 T HA -0.133 4.226 4.350 0.016 0.000 0.251 566 T C 2.011 176.722 174.700 0.019 0.000 1.044 566 T CA 0.958 63.071 62.100 0.022 0.000 1.154 566 T CB -0.857 68.014 68.868 0.005 0.000 0.866 566 T HN 0.287 nan 8.240 nan 0.000 0.416 567 c N 1.528 120.114 118.600 -0.023 0.000 2.403 567 c HA -0.057 4.522 4.570 0.016 0.000 0.282 567 c C 2.657 176.711 174.090 -0.060 0.000 1.297 567 c CA 1.708 57.995 56.329 -0.070 0.000 1.785 567 c CB -2.150 40.273 42.510 -0.144 0.000 1.963 567 c HN 0.605 nan 8.230 nan 0.000 0.507 568 F N -0.073 119.880 119.950 0.004 0.000 2.710 568 F HA 0.483 5.020 4.527 0.016 0.000 0.298 568 F C 1.725 177.656 175.800 0.218 0.000 1.137 568 F CA 0.876 58.958 58.000 0.136 0.000 1.444 568 F CB -1.081 37.998 39.000 0.131 0.000 1.111 568 F HN 0.461 nan 8.300 nan 0.000 0.580 569 A N -0.514 122.396 122.820 0.151 0.000 2.192 569 A HA 0.454 4.783 4.320 0.016 0.000 0.208 569 A C 1.726 179.382 177.584 0.120 0.000 1.220 569 A CA 0.929 53.052 52.037 0.143 0.000 0.900 569 A CB -0.744 18.329 19.000 0.122 0.000 0.937 569 A HN 0.613 nan 8.150 nan 0.000 0.487 570 E N 0.010 120.272 120.200 0.103 0.000 2.110 570 E HA 0.015 4.374 4.350 0.016 0.000 0.193 570 E C 1.731 178.398 176.600 0.112 0.000 0.950 570 E CA 0.855 57.305 56.400 0.083 0.000 0.840 570 E CB -0.487 29.243 29.700 0.049 0.000 0.809 570 E HN 0.377 nan 8.360 nan 0.000 0.465 571 E N 0.477 120.762 120.200 0.142 0.000 2.208 571 E HA -0.025 4.334 4.350 0.016 0.000 0.193 571 E C 2.316 179.164 176.600 0.414 0.000 0.988 571 E CA 0.961 57.496 56.400 0.225 0.000 0.828 571 E CB -0.280 29.495 29.700 0.125 0.000 0.763 571 E HN 0.505 nan 8.360 nan 0.000 0.478 572 G N 1.086 110.149 108.800 0.440 0.000 2.402 572 G HA2 -0.258 3.711 3.960 0.016 0.000 0.216 572 G HA3 -0.258 3.711 3.960 0.016 0.000 0.216 572 G C 1.915 176.869 174.900 0.090 0.000 1.162 572 G CA 0.676 45.911 45.100 0.226 0.000 0.777 572 G HN 0.160 nan 8.290 nan 0.000 0.539 573 K N 0.181 120.647 120.400 0.111 0.000 2.103 573 K HA -0.001 4.328 4.320 0.016 0.000 0.207 573 K C 2.541 179.169 176.600 0.047 0.000 1.048 573 K CA 1.504 57.835 56.287 0.074 0.000 0.930 573 K CB -0.329 32.214 32.500 0.071 0.000 0.716 573 K HN 0.453 nan 8.250 nan 0.000 0.444 574 K N -0.407 120.030 120.400 0.062 0.000 2.057 574 K HA -0.030 4.300 4.320 0.016 0.000 0.206 574 K C 2.127 178.737 176.600 0.017 0.000 1.050 574 K CA 1.220 57.532 56.287 0.043 0.000 0.935 574 K CB -0.235 32.305 32.500 0.067 0.000 0.715 574 K HN 0.015 nan 8.250 nan 0.000 0.439 575 L N 0.819 122.045 121.223 0.005 0.000 1.988 575 L HA -0.159 4.190 4.340 0.016 0.000 0.207 575 L C 2.099 178.934 176.870 -0.059 0.000 1.071 575 L CA 1.445 56.257 54.840 -0.046 0.000 0.744 575 L CB -0.706 41.255 42.059 -0.163 0.000 0.893 575 L HN -0.083 nan 8.230 nan 0.000 0.433 576 V N -0.137 119.745 119.914 -0.053 0.000 2.636 576 V HA -0.333 3.796 4.120 0.016 0.000 0.258 576 V C 2.511 178.548 176.094 -0.094 0.000 1.092 576 V CA 1.536 63.808 62.300 -0.047 0.000 1.110 576 V CB -1.356 30.505 31.823 0.063 0.000 0.685 576 V HN 0.566 nan 8.190 nan 0.000 0.481 577 A N -0.374 122.403 122.820 -0.071 0.000 1.871 577 A HA 0.210 4.539 4.320 0.016 0.000 0.211 577 A C 2.425 179.961 177.584 -0.079 0.000 1.207 577 A CA 1.262 53.247 52.037 -0.087 0.000 0.620 577 A CB -0.782 18.188 19.000 -0.051 0.000 0.860 577 A HN 0.497 nan 8.150 nan 0.000 0.450 578 A N 0.090 122.880 122.820 -0.050 0.000 1.892 578 A HA -0.133 4.196 4.320 0.016 0.000 0.218 578 A C 2.451 180.003 177.584 -0.053 0.000 1.188 578 A CA 2.433 54.447 52.037 -0.039 0.000 0.631 578 A CB -1.024 17.967 19.000 -0.016 0.000 0.822 578 A HN 0.470 nan 8.150 nan 0.000 0.447 579 S N -0.882 114.778 115.700 -0.067 0.000 2.343 579 S HA -0.194 4.286 4.470 0.016 0.000 0.219 579 S C 2.098 176.633 174.600 -0.108 0.000 1.033 579 S CA 1.368 59.517 58.200 -0.084 0.000 1.014 579 S CB -0.650 62.487 63.200 -0.105 0.000 0.915 579 S HN 0.629 nan 8.310 nan 0.000 0.435 580 Q N 0.385 120.093 119.800 -0.153 0.000 2.224 580 Q HA -0.231 4.119 4.340 0.016 0.000 0.213 580 Q C 2.434 178.362 176.000 -0.120 0.000 0.998 580 Q CA 1.502 57.193 55.803 -0.187 0.000 0.895 580 Q CB -0.969 27.595 28.738 -0.290 0.000 0.926 580 Q HN 0.744 nan 8.270 nan 0.000 0.417 581 A N -0.656 122.107 122.820 -0.095 0.000 1.911 581 A HA 0.340 4.669 4.320 0.016 0.000 0.212 581 A C 2.374 179.932 177.584 -0.044 0.000 1.189 581 A CA 1.247 53.246 52.037 -0.064 0.000 0.639 581 A CB -0.825 18.142 19.000 -0.055 0.000 0.839 581 A HN 0.604 nan 8.150 nan 0.000 0.449 582 A N -0.039 122.755 122.820 -0.043 0.000 1.978 582 A HA 0.002 4.332 4.320 0.016 0.000 0.220 582 A C 1.380 178.950 177.584 -0.024 0.000 1.170 582 A CA 1.135 53.155 52.037 -0.029 0.000 0.636 582 A CB -0.577 18.407 19.000 -0.027 0.000 0.810 582 A HN 0.451 nan 8.150 nan 0.000 0.448 583 L N 0.464 121.669 121.223 -0.030 0.000 2.990 583 L HA 0.373 4.723 4.340 0.016 0.000 0.231 583 L C 1.202 178.073 176.870 0.000 0.000 1.341 583 L CA -0.267 54.566 54.840 -0.012 0.000 1.208 583 L CB -1.180 40.872 42.059 -0.012 0.000 1.571 583 L HN 0.494 nan 8.230 nan 0.000 0.453 584 G N 0.000 108.796 108.800 -0.006 0.000 5.446 584 G HA2 0.000 3.969 3.960 0.016 0.000 0.244 584 G HA3 0.000 3.969 3.960 0.016 0.000 0.244 584 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925