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 1e7g_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 0.000 175.297 175.328 -0.052 0.000 0.993 3 H CA 0.000 55.976 56.048 -0.120 0.000 1.023 3 H CB 0.000 29.634 29.762 -0.214 0.000 1.292 4 K N -0.390 120.107 120.400 0.163 0.000 2.314 4 K HA 0.237 4.566 4.320 0.015 0.000 0.198 4 K C -0.218 176.464 176.600 0.136 0.000 1.045 4 K CA 0.654 57.009 56.287 0.114 0.000 0.988 4 K CB 0.691 33.240 32.500 0.082 0.000 0.783 4 K HN 0.141 nan 8.250 nan 0.000 0.484 5 S N 0.246 116.050 115.700 0.173 0.000 2.756 5 S HA 0.186 4.665 4.470 0.015 0.000 0.303 5 S C 0.061 174.724 174.600 0.104 0.000 1.135 5 S CA -0.680 57.576 58.200 0.092 0.000 1.066 5 S CB 1.101 64.311 63.200 0.018 0.000 1.008 5 S HN 0.159 nan 8.310 nan 0.000 0.482 6 E N 2.520 122.804 120.200 0.139 0.000 2.072 6 E HA -0.108 4.251 4.350 0.015 0.000 0.190 6 E C 1.759 178.478 176.600 0.199 0.000 0.982 6 E CA 1.349 57.860 56.400 0.185 0.000 0.803 6 E CB 0.085 29.888 29.700 0.172 0.000 0.755 6 E HN 0.673 nan 8.360 nan 0.000 0.453 7 V N 1.244 121.263 119.914 0.175 0.000 2.237 7 V HA -0.268 3.861 4.120 0.015 0.000 0.245 7 V C 2.473 178.634 176.094 0.112 0.000 1.046 7 V CA 1.895 64.316 62.300 0.201 0.000 1.007 7 V CB -1.246 30.685 31.823 0.180 0.000 0.638 7 V HN 0.281 nan 8.190 nan 0.000 0.445 8 A N -0.724 122.088 122.820 -0.013 0.000 1.948 8 A HA -0.330 3.998 4.320 0.015 0.000 0.220 8 A C 2.276 179.875 177.584 0.025 0.000 1.177 8 A CA 2.358 54.345 52.037 -0.083 0.000 0.636 8 A CB -1.091 17.824 19.000 -0.141 0.000 0.815 8 A HN 0.797 nan 8.150 nan 0.000 0.449 9 H N -0.955 118.077 119.070 -0.063 0.000 2.326 9 H HA -0.081 4.484 4.556 0.015 0.000 0.301 9 H C 2.255 177.604 175.328 0.035 0.000 1.081 9 H CA 1.206 57.220 56.048 -0.058 0.000 1.334 9 H CB 0.075 29.809 29.762 -0.047 0.000 1.385 9 H HN 0.286 nan 8.280 nan 0.000 0.504 10 R N 0.134 120.654 120.500 0.034 0.000 2.081 10 R HA -0.139 4.209 4.340 0.015 0.000 0.235 10 R C 2.300 178.650 176.300 0.083 0.000 1.131 10 R CA 0.798 56.920 56.100 0.037 0.000 0.960 10 R CB -1.296 29.130 30.300 0.210 0.000 0.856 10 R HN 0.327 nan 8.270 nan 0.000 0.436 11 F N 2.312 122.203 119.950 -0.099 0.000 2.026 11 F HA -0.248 4.288 4.527 0.015 0.000 0.296 11 F C 2.317 178.019 175.800 -0.163 0.000 1.133 11 F CA 1.802 59.625 58.000 -0.296 0.000 1.188 11 F CB -0.123 38.574 39.000 -0.506 0.000 0.968 11 F HN -0.087 nan 8.300 nan 0.000 0.476 12 K N -0.361 120.117 120.400 0.129 0.000 2.059 12 K HA -0.249 4.079 4.320 0.015 0.000 0.212 12 K C 1.413 177.998 176.600 -0.025 0.000 1.050 12 K CA 2.034 58.355 56.287 0.055 0.000 0.927 12 K CB -0.696 31.827 32.500 0.039 0.000 0.714 12 K HN 0.487 nan 8.250 nan 0.000 0.447 13 D N -0.493 119.860 120.400 -0.078 0.000 2.339 13 D HA -0.042 4.606 4.640 0.015 0.000 0.217 13 D C 1.514 177.772 176.300 -0.071 0.000 1.050 13 D CA 0.129 54.081 54.000 -0.080 0.000 0.856 13 D CB 0.117 40.844 40.800 -0.122 0.000 0.922 13 D HN -0.014 nan 8.370 nan 0.000 0.518 14 L N 0.610 121.784 121.223 -0.081 0.000 2.262 14 L HA 0.449 4.797 4.340 0.015 0.000 0.197 14 L C 1.057 177.862 176.870 -0.108 0.000 1.073 14 L CA 1.676 56.478 54.840 -0.062 0.000 0.800 14 L CB -0.565 41.497 42.059 0.005 0.000 0.987 14 L HN 0.363 nan 8.230 nan 0.000 0.470 15 G N -0.549 108.111 108.800 -0.234 0.000 2.674 15 G HA2 -0.162 3.807 3.960 0.015 0.000 0.686 15 G HA3 -0.162 3.807 3.960 0.015 0.000 0.686 15 G C 0.340 174.958 174.900 -0.470 0.000 1.195 15 G CA 0.083 45.017 45.100 -0.277 0.000 0.776 15 G HN 0.253 nan 8.290 nan 0.000 0.654 16 E N 0.057 119.947 120.200 -0.518 0.000 2.097 16 E HA -0.195 4.164 4.350 0.015 0.000 0.196 16 E C 2.072 178.598 176.600 -0.123 0.000 1.000 16 E CA 1.949 58.074 56.400 -0.457 0.000 0.804 16 E CB 0.010 29.662 29.700 -0.079 0.000 0.740 16 E HN 0.498 nan 8.360 nan 0.000 0.454 17 E N 0.729 120.890 120.200 -0.064 0.000 2.031 17 E HA -0.166 4.192 4.350 0.015 0.000 0.193 17 E C 1.856 178.468 176.600 0.020 0.000 0.994 17 E CA 1.227 57.630 56.400 0.004 0.000 0.800 17 E CB -0.439 29.266 29.700 0.009 0.000 0.752 17 E HN 0.443 nan 8.360 nan 0.000 0.447 18 N N -0.108 118.591 118.700 -0.002 0.000 2.270 18 N HA -0.120 4.629 4.740 0.015 0.000 0.181 18 N C 1.934 177.457 175.510 0.021 0.000 1.016 18 N CA 0.466 53.522 53.050 0.010 0.000 0.870 18 N CB -0.294 38.192 38.487 -0.002 0.000 0.979 18 N HN 0.086 nan 8.380 nan 0.000 0.431 19 F N 2.817 122.666 119.950 -0.167 0.000 2.095 19 F HA -0.145 4.391 4.527 0.015 0.000 0.298 19 F C 2.269 178.046 175.800 -0.038 0.000 1.104 19 F CA 1.520 59.429 58.000 -0.151 0.000 1.232 19 F CB -0.018 38.766 39.000 -0.360 0.000 0.987 19 F HN -0.165 nan 8.300 nan 0.000 0.475 20 K N 0.123 120.617 120.400 0.156 0.000 2.057 20 K HA -0.134 4.195 4.320 0.015 0.000 0.207 20 K C 2.314 178.929 176.600 0.025 0.000 1.049 20 K CA 1.207 57.556 56.287 0.104 0.000 0.931 20 K CB -0.594 31.999 32.500 0.155 0.000 0.714 20 K HN 0.363 nan 8.250 nan 0.000 0.440 21 A N 1.361 124.201 122.820 0.033 0.000 1.902 21 A HA -0.145 4.184 4.320 0.015 0.000 0.217 21 A C 2.124 179.713 177.584 0.008 0.000 1.181 21 A CA 1.337 53.401 52.037 0.044 0.000 0.623 21 A CB -0.590 18.443 19.000 0.055 0.000 0.818 21 A HN 0.156 nan 8.150 nan 0.000 0.443 22 L N -0.821 120.366 121.223 -0.059 0.000 2.072 22 L HA -0.111 4.238 4.340 0.015 0.000 0.205 22 L C 2.503 179.293 176.870 -0.133 0.000 1.079 22 L CA 0.776 55.551 54.840 -0.109 0.000 0.752 22 L CB -0.450 41.512 42.059 -0.162 0.000 0.906 22 L HN 0.225 nan 8.230 nan 0.000 0.436 23 V N 0.135 119.928 119.914 -0.201 0.000 2.392 23 V HA -0.305 3.823 4.120 0.015 0.000 0.249 23 V C 2.377 178.547 176.094 0.126 0.000 1.059 23 V CA 1.804 64.050 62.300 -0.091 0.000 1.051 23 V CB -0.375 31.368 31.823 -0.134 0.000 0.658 23 V HN 0.335 nan 8.190 nan 0.000 0.455 24 L N 0.059 121.323 121.223 0.068 0.000 1.961 24 L HA -0.142 4.207 4.340 0.015 0.000 0.210 24 L C 2.246 179.186 176.870 0.118 0.000 1.072 24 L CA 2.009 56.910 54.840 0.102 0.000 0.749 24 L CB -0.488 41.635 42.059 0.106 0.000 0.889 24 L HN 0.205 nan 8.230 nan 0.000 0.432 25 I N -0.031 120.592 120.570 0.087 0.000 2.194 25 I HA -0.378 3.801 4.170 0.015 0.000 0.246 25 I C 2.660 178.804 176.117 0.045 0.000 1.093 25 I CA 1.333 62.678 61.300 0.075 0.000 1.355 25 I CB -0.951 37.077 38.000 0.047 0.000 1.046 25 I HN 0.469 nan 8.210 nan 0.000 0.413 26 A N 1.123 123.940 122.820 -0.004 0.000 1.851 26 A HA -0.240 4.089 4.320 0.015 0.000 0.216 26 A C 2.129 179.761 177.584 0.081 0.000 1.195 26 A CA 1.796 53.797 52.037 -0.060 0.000 0.622 26 A CB -1.177 17.658 19.000 -0.274 0.000 0.831 26 A HN 0.325 nan 8.150 nan 0.000 0.444 27 F N 0.115 120.109 119.950 0.074 0.000 2.171 27 F HA -0.094 4.442 4.527 0.015 0.000 0.300 27 F C 2.786 178.500 175.800 -0.144 0.000 1.090 27 F CA 1.079 59.072 58.000 -0.011 0.000 1.293 27 F CB -0.429 38.410 39.000 -0.268 0.000 1.013 27 F HN 0.261 nan 8.300 nan 0.000 0.486 28 A N -0.672 122.165 122.820 0.029 0.000 1.972 28 A HA -0.226 4.103 4.320 0.015 0.000 0.219 28 A C 2.079 179.725 177.584 0.103 0.000 1.169 28 A CA 1.554 53.674 52.037 0.138 0.000 0.635 28 A CB -0.660 18.478 19.000 0.230 0.000 0.810 28 A HN 0.472 nan 8.150 nan 0.000 0.446 29 Q N -2.405 117.417 119.800 0.038 0.000 2.311 29 Q HA -0.072 4.276 4.340 0.015 0.000 0.203 29 Q C 1.407 177.285 176.000 -0.204 0.000 0.954 29 Q CA 1.131 56.873 55.803 -0.101 0.000 0.885 29 Q CB -0.068 28.560 28.738 -0.183 0.000 0.963 29 Q HN 0.866 nan 8.270 nan 0.000 0.471 30 Y N -0.803 119.475 120.300 -0.038 0.000 2.314 30 Y HA 0.023 4.581 4.550 0.015 0.000 0.294 30 Y C 0.553 176.379 175.900 -0.123 0.000 1.139 30 Y CA 0.206 58.255 58.100 -0.085 0.000 1.162 30 Y CB 0.669 39.062 38.460 -0.112 0.000 1.121 30 Y HN -0.025 nan 8.280 nan 0.000 0.529 31 L N 2.052 123.343 121.223 0.112 0.000 2.556 31 L HA 0.198 4.546 4.340 0.015 0.000 0.245 31 L C 0.483 177.572 176.870 0.364 0.000 1.174 31 L CA 0.081 54.971 54.840 0.084 0.000 1.117 31 L CB 0.030 42.201 42.059 0.186 0.000 1.409 31 L HN 0.323 nan 8.230 nan 0.000 0.411 32 Q N -0.723 119.246 119.800 0.281 0.000 2.431 32 Q HA -0.014 4.335 4.340 0.015 0.000 0.210 32 Q C 0.819 176.960 176.000 0.235 0.000 0.958 32 Q CA 0.439 56.376 55.803 0.224 0.000 0.957 32 Q CB 0.273 29.069 28.738 0.096 0.000 1.007 32 Q HN 0.485 nan 8.270 nan 0.000 0.511 33 Q N -0.567 119.450 119.800 0.362 0.000 2.322 33 Q HA 0.115 4.464 4.340 0.015 0.000 0.250 33 Q C 0.356 176.441 176.000 0.142 0.000 0.853 33 Q CA 0.097 56.006 55.803 0.176 0.000 0.951 33 Q CB 0.600 29.325 28.738 -0.022 0.000 1.114 33 Q HN 0.299 nan 8.270 nan 0.000 0.523 34 C N 4.331 123.774 119.300 0.239 0.000 2.676 34 C HA 0.190 4.659 4.460 0.015 0.000 0.416 34 C C -1.793 173.149 174.990 -0.079 0.000 1.299 34 C CA -0.749 58.305 59.018 0.059 0.000 2.048 34 C CB 0.285 28.066 27.740 0.068 0.000 2.713 34 C HN 0.257 nan 8.230 nan 0.000 0.624 35 P HA 0.044 nan 4.420 nan 0.000 0.275 35 P C 0.567 177.631 177.300 -0.393 0.000 1.228 35 P CA -0.038 62.973 63.100 -0.148 0.000 0.786 35 P CB 0.365 32.006 31.700 -0.099 0.000 0.927 36 F N 3.242 122.763 119.950 -0.714 0.000 2.045 36 F HA -0.306 4.230 4.527 0.015 0.000 0.297 36 F C 1.792 177.309 175.800 -0.472 0.000 1.114 36 F CA 2.239 59.667 58.000 -0.953 0.000 1.207 36 F CB -0.809 37.671 39.000 -0.867 0.000 0.964 36 F HN 0.319 nan 8.300 nan 0.000 0.486 37 E N -0.056 119.978 120.200 -0.277 0.000 2.273 37 E HA -0.231 4.128 4.350 0.015 0.000 0.198 37 E C 1.644 178.064 176.600 -0.301 0.000 1.002 37 E CA 1.545 57.780 56.400 -0.275 0.000 0.828 37 E CB -0.501 29.142 29.700 -0.095 0.000 0.747 37 E HN 0.500 nan 8.360 nan 0.000 0.491 38 D N -0.829 119.385 120.400 -0.309 0.000 2.162 38 D HA -0.066 4.583 4.640 0.015 0.000 0.203 38 D C 1.558 177.739 176.300 -0.198 0.000 0.967 38 D CA 0.818 54.679 54.000 -0.232 0.000 0.840 38 D CB 0.009 40.688 40.800 -0.202 0.000 0.972 38 D HN 0.228 nan 8.370 nan 0.000 0.482 39 H N -0.206 118.665 119.070 -0.330 0.000 2.333 39 H HA 0.046 4.610 4.556 0.015 0.000 0.302 39 H C 2.224 177.317 175.328 -0.393 0.000 1.075 39 H CA 0.424 56.271 56.048 -0.336 0.000 1.348 39 H CB -0.616 28.995 29.762 -0.252 0.000 1.393 39 H HN -0.033 nan 8.280 nan 0.000 0.509 40 V N 1.025 120.689 119.914 -0.416 0.000 2.660 40 V HA -0.259 3.870 4.120 0.015 0.000 0.257 40 V C 2.405 178.365 176.094 -0.223 0.000 1.088 40 V CA 1.871 63.937 62.300 -0.389 0.000 1.106 40 V CB -0.364 31.126 31.823 -0.554 0.000 0.686 40 V HN 0.321 nan 8.190 nan 0.000 0.481 41 K N -0.592 119.684 120.400 -0.208 0.000 2.137 41 K HA 0.026 4.355 4.320 0.015 0.000 0.202 41 K C 2.053 178.561 176.600 -0.154 0.000 1.052 41 K CA 0.728 56.925 56.287 -0.150 0.000 0.961 41 K CB -0.018 32.400 32.500 -0.136 0.000 0.741 41 K HN 0.366 nan 8.250 nan 0.000 0.452 42 L N 0.335 121.420 121.223 -0.230 0.000 1.976 42 L HA -0.198 4.151 4.340 0.015 0.000 0.209 42 L C 2.258 178.993 176.870 -0.225 0.000 1.071 42 L CA 1.009 55.651 54.840 -0.330 0.000 0.746 42 L CB -0.584 41.057 42.059 -0.696 0.000 0.890 42 L HN -0.002 nan 8.230 nan 0.000 0.432 43 V N 0.540 120.336 119.914 -0.197 0.000 2.277 43 V HA -0.374 3.755 4.120 0.015 0.000 0.253 43 V C 2.291 178.414 176.094 0.049 0.000 1.067 43 V CA 2.289 64.565 62.300 -0.041 0.000 1.047 43 V CB -0.810 30.994 31.823 -0.031 0.000 0.649 43 V HN 0.513 nan 8.190 nan 0.000 0.447 44 N N -0.305 118.399 118.700 0.006 0.000 2.084 44 N HA -0.162 4.587 4.740 0.015 0.000 0.190 44 N C 1.890 177.436 175.510 0.061 0.000 1.030 44 N CA 1.516 54.592 53.050 0.044 0.000 0.849 44 N CB -0.357 38.133 38.487 0.004 0.000 1.012 44 N HN 0.600 nan 8.380 nan 0.000 0.423 45 E N 0.183 120.390 120.200 0.013 0.000 2.058 45 E HA -0.125 4.234 4.350 0.015 0.000 0.194 45 E C 1.817 178.478 176.600 0.102 0.000 0.997 45 E CA 1.028 57.441 56.400 0.021 0.000 0.801 45 E CB 0.093 29.764 29.700 -0.049 0.000 0.746 45 E HN 0.039 nan 8.360 nan 0.000 0.450 46 V N 0.350 120.343 119.914 0.132 0.000 2.427 46 V HA -0.216 3.913 4.120 0.015 0.000 0.248 46 V C 2.225 178.581 176.094 0.437 0.000 1.051 46 V CA 2.029 64.501 62.300 0.288 0.000 1.048 46 V CB -0.477 31.529 31.823 0.305 0.000 0.666 46 V HN 0.342 nan 8.190 nan 0.000 0.456 47 T N -0.788 114.003 114.554 0.395 0.000 2.867 47 T HA -0.160 4.198 4.350 0.015 0.000 0.268 47 T C 1.916 176.714 174.700 0.163 0.000 1.057 47 T CA 1.393 63.740 62.100 0.412 0.000 1.136 47 T CB -0.156 68.951 68.868 0.398 0.000 0.874 47 T HN 0.357 nan 8.240 nan 0.000 0.466 48 E N 0.569 120.855 120.200 0.144 0.000 2.150 48 E HA -0.026 4.333 4.350 0.015 0.000 0.193 48 E C 1.575 178.216 176.600 0.068 0.000 0.985 48 E CA 0.601 57.043 56.400 0.070 0.000 0.814 48 E CB -0.399 29.347 29.700 0.076 0.000 0.752 48 E HN 0.470 nan 8.360 nan 0.000 0.466 49 F N 0.730 120.675 119.950 -0.008 0.000 2.039 49 F HA -0.070 4.466 4.527 0.015 0.000 0.294 49 F C 2.125 177.872 175.800 -0.088 0.000 1.130 49 F CA 1.731 59.722 58.000 -0.015 0.000 1.189 49 F CB -1.060 37.969 39.000 0.048 0.000 0.983 49 F HN 0.052 nan 8.300 nan 0.000 0.471 50 A N 0.064 122.796 122.820 -0.147 0.000 1.940 50 A HA -0.335 3.994 4.320 0.015 0.000 0.221 50 A C 2.202 179.336 177.584 -0.750 0.000 1.190 50 A CA 2.433 54.194 52.037 -0.460 0.000 0.647 50 A CB -0.965 17.774 19.000 -0.434 0.000 0.821 50 A HN 0.480 nan 8.150 nan 0.000 0.457 51 K N -1.481 118.501 120.400 -0.697 0.000 2.283 51 K HA -0.032 4.296 4.320 0.015 0.000 0.202 51 K C 2.039 178.398 176.600 -0.402 0.000 1.048 51 K CA 1.379 57.284 56.287 -0.636 0.000 0.948 51 K CB -0.246 32.004 32.500 -0.417 0.000 0.742 51 K HN 0.476 nan 8.250 nan 0.000 0.458 52 T N -0.410 113.930 114.554 -0.356 0.000 2.812 52 T HA -0.114 4.245 4.350 0.015 0.000 0.264 52 T C 1.744 176.260 174.700 -0.306 0.000 1.042 52 T CA 1.179 63.114 62.100 -0.274 0.000 1.140 52 T CB -0.166 68.569 68.868 -0.223 0.000 0.870 52 T HN 0.329 nan 8.240 nan 0.000 0.445 53 c N 0.711 119.051 118.600 -0.434 0.000 2.457 53 c HA 0.086 4.665 4.570 0.015 0.000 0.278 53 c C 2.726 176.664 174.090 -0.254 0.000 1.309 53 c CA -0.128 55.994 56.329 -0.345 0.000 1.735 53 c CB -1.067 41.194 42.510 -0.414 0.000 1.992 53 c HN 0.335 nan 8.230 nan 0.000 0.493 54 V N 1.596 121.322 119.914 -0.313 0.000 2.568 54 V HA -0.211 3.917 4.120 0.015 0.000 0.253 54 V C 2.596 178.590 176.094 -0.167 0.000 1.072 54 V CA 2.209 64.363 62.300 -0.243 0.000 1.084 54 V CB -1.053 30.573 31.823 -0.329 0.000 0.676 54 V HN 0.630 nan 8.190 nan 0.000 0.469 55 A N -1.282 121.434 122.820 -0.173 0.000 1.975 55 A HA -0.001 4.328 4.320 0.015 0.000 0.215 55 A C 1.137 178.670 177.584 -0.085 0.000 1.170 55 A CA 1.092 53.060 52.037 -0.115 0.000 0.656 55 A CB 0.096 19.027 19.000 -0.115 0.000 0.821 55 A HN 0.496 nan 8.150 nan 0.000 0.449 56 D N -1.085 119.256 120.400 -0.098 0.000 2.365 56 D HA 0.249 4.898 4.640 0.015 0.000 0.235 56 D C -0.073 176.186 176.300 -0.068 0.000 1.368 56 D CA -0.231 53.730 54.000 -0.065 0.000 1.001 56 D CB 0.745 41.511 40.800 -0.056 0.000 1.364 56 D HN 0.224 nan 8.370 nan 0.000 0.577 57 E N 0.408 120.587 120.200 -0.034 0.000 2.331 57 E HA -0.080 4.279 4.350 0.015 0.000 0.199 57 E C 1.257 177.856 176.600 -0.001 0.000 1.008 57 E CA 0.883 57.278 56.400 -0.009 0.000 0.843 57 E CB 0.290 30.033 29.700 0.071 0.000 0.761 57 E HN 0.193 nan 8.360 nan 0.000 0.507 58 S N 0.298 115.994 115.700 -0.006 0.000 2.524 58 S HA 0.194 4.672 4.470 0.015 0.000 0.216 58 S C 0.761 175.362 174.600 0.001 0.000 0.987 58 S CA -0.010 58.192 58.200 0.003 0.000 0.909 58 S CB 0.351 63.553 63.200 0.004 0.000 0.781 58 S HN 0.335 nan 8.310 nan 0.000 0.521 59 A N 2.239 125.046 122.820 -0.022 0.000 2.567 59 A HA 0.140 4.469 4.320 0.015 0.000 0.240 59 A C 0.412 178.012 177.584 0.025 0.000 1.053 59 A CA -0.100 51.928 52.037 -0.016 0.000 0.755 59 A CB -0.177 18.785 19.000 -0.064 0.000 0.978 59 A HN 0.368 nan 8.150 nan 0.000 0.507 60 E N 2.523 122.758 120.200 0.057 0.000 2.760 60 E HA -0.140 4.219 4.350 0.015 0.000 0.268 60 E C 0.911 177.619 176.600 0.179 0.000 0.935 60 E CA 1.714 58.172 56.400 0.096 0.000 0.960 60 E CB -0.074 29.680 29.700 0.089 0.000 0.931 60 E HN 0.724 nan 8.360 nan 0.000 0.483 61 N N 1.495 120.299 118.700 0.173 0.000 2.946 61 N HA -0.302 4.447 4.740 0.015 0.000 0.228 61 N C 0.784 176.498 175.510 0.340 0.000 0.873 61 N CA 1.304 54.504 53.050 0.250 0.000 1.029 61 N CB -1.805 36.852 38.487 0.283 0.000 1.047 61 N HN 0.525 nan 8.380 nan 0.000 0.612 62 c N 1.820 120.548 118.600 0.213 0.000 2.422 62 c HA -0.087 4.491 4.570 0.015 0.000 0.286 62 c C 2.194 176.349 174.090 0.108 0.000 1.412 62 c CA 0.999 57.377 56.329 0.081 0.000 1.786 62 c CB -0.995 41.468 42.510 -0.079 0.000 1.835 62 c HN 0.551 nan 8.230 nan 0.000 0.533 63 D N 0.669 121.138 120.400 0.114 0.000 2.289 63 D HA -0.057 4.591 4.640 0.015 0.000 0.207 63 D C 0.423 176.792 176.300 0.116 0.000 0.966 63 D CA 0.402 54.461 54.000 0.099 0.000 0.868 63 D CB -0.201 40.644 40.800 0.075 0.000 0.943 63 D HN 0.460 nan 8.370 nan 0.000 0.514 64 K N 1.759 122.244 120.400 0.142 0.000 2.380 64 K HA 0.099 4.428 4.320 0.015 0.000 0.267 64 K C 0.855 177.545 176.600 0.151 0.000 0.990 64 K CA -0.089 56.281 56.287 0.138 0.000 0.946 64 K CB 0.721 33.306 32.500 0.143 0.000 0.937 64 K HN 0.132 nan 8.250 nan 0.000 0.491 65 S N 1.548 117.332 115.700 0.140 0.000 2.593 65 S HA 0.096 4.575 4.470 0.015 0.000 0.269 65 S C 1.479 176.178 174.600 0.165 0.000 1.334 65 S CA -0.726 57.566 58.200 0.154 0.000 1.015 65 S CB 0.518 63.814 63.200 0.159 0.000 0.912 65 S HN 0.570 nan 8.310 nan 0.000 0.541 66 L N 0.632 121.940 121.223 0.142 0.000 2.046 66 L HA -0.137 4.212 4.340 0.015 0.000 0.208 66 L C 2.575 179.487 176.870 0.070 0.000 1.077 66 L CA 1.791 56.681 54.840 0.085 0.000 0.747 66 L CB -0.882 41.166 42.059 -0.019 0.000 0.896 66 L HN 0.831 nan 8.230 nan 0.000 0.432 67 H N -1.043 118.083 119.070 0.093 0.000 2.387 67 H HA -0.140 4.425 4.556 0.015 0.000 0.299 67 H C 2.287 177.702 175.328 0.144 0.000 1.090 67 H CA 1.933 58.050 56.048 0.114 0.000 1.332 67 H CB -0.051 29.765 29.762 0.089 0.000 1.386 67 H HN 0.264 nan 8.280 nan 0.000 0.516 68 T N 0.251 114.945 114.554 0.232 0.000 2.812 68 T HA -0.059 4.300 4.350 0.015 0.000 0.264 68 T C 2.153 176.928 174.700 0.125 0.000 1.042 68 T CA 0.843 63.039 62.100 0.159 0.000 1.140 68 T CB -0.193 68.750 68.868 0.125 0.000 0.870 68 T HN 0.185 nan 8.240 nan 0.000 0.445 69 L N -0.153 121.149 121.223 0.133 0.000 2.027 69 L HA -0.002 4.346 4.340 0.015 0.000 0.206 69 L C 2.300 179.225 176.870 0.091 0.000 1.074 69 L CA 1.258 56.152 54.840 0.091 0.000 0.745 69 L CB -0.539 41.603 42.059 0.139 0.000 0.898 69 L HN 0.169 nan 8.230 nan 0.000 0.433 70 F N 1.102 121.025 119.950 -0.046 0.000 2.046 70 F HA -0.178 4.358 4.527 0.015 0.000 0.297 70 F C 2.301 178.014 175.800 -0.145 0.000 1.123 70 F CA 1.772 59.677 58.000 -0.159 0.000 1.199 70 F CB -0.938 37.879 39.000 -0.305 0.000 0.972 70 F HN -0.003 nan 8.300 nan 0.000 0.474 71 G N -0.576 108.189 108.800 -0.059 0.000 2.450 71 G HA2 -0.294 3.675 3.960 0.015 0.000 0.220 71 G HA3 -0.294 3.675 3.960 0.015 0.000 0.220 71 G C 1.300 176.165 174.900 -0.058 0.000 1.130 71 G CA 1.167 46.240 45.100 -0.044 0.000 0.760 71 G HN 0.372 nan 8.290 nan 0.000 0.557 72 D N 0.195 120.575 120.400 -0.034 0.000 2.117 72 D HA -0.027 4.621 4.640 0.015 0.000 0.198 72 D C 2.472 178.722 176.300 -0.082 0.000 0.982 72 D CA 0.680 54.659 54.000 -0.034 0.000 0.828 72 D CB -0.037 40.747 40.800 -0.027 0.000 0.967 72 D HN 0.101 nan 8.370 nan 0.000 0.464 73 K N 0.114 120.446 120.400 -0.114 0.000 2.057 73 K HA -0.058 4.270 4.320 0.015 0.000 0.206 73 K C 2.114 178.631 176.600 -0.138 0.000 1.050 73 K CA 0.242 56.469 56.287 -0.099 0.000 0.935 73 K CB -0.455 32.048 32.500 0.004 0.000 0.715 73 K HN 0.115 nan 8.250 nan 0.000 0.439 74 L N 0.877 121.928 121.223 -0.287 0.000 2.043 74 L HA -0.228 4.121 4.340 0.015 0.000 0.212 74 L C 2.131 178.874 176.870 -0.210 0.000 1.075 74 L CA 1.485 56.099 54.840 -0.377 0.000 0.752 74 L CB -0.628 40.912 42.059 -0.864 0.000 0.891 74 L HN 0.146 nan 8.230 nan 0.000 0.432 75 c N -1.343 117.188 118.600 -0.115 0.000 2.546 75 c HA 0.012 4.590 4.570 0.015 0.000 0.275 75 c C 2.342 176.419 174.090 -0.021 0.000 1.393 75 c CA 0.693 57.016 56.329 -0.011 0.000 1.703 75 c CB -1.746 40.794 42.510 0.050 0.000 1.710 75 c HN 0.503 nan 8.230 nan 0.000 0.581 76 T N -0.119 114.403 114.554 -0.052 0.000 3.040 76 T HA 0.047 4.406 4.350 0.015 0.000 0.252 76 T C 0.836 175.516 174.700 -0.033 0.000 1.064 76 T CA 0.409 62.481 62.100 -0.045 0.000 1.110 76 T CB 0.124 68.951 68.868 -0.068 0.000 0.921 76 T HN 0.194 nan 8.240 nan 0.000 0.480 77 V N 3.163 123.057 119.914 -0.032 0.000 2.441 77 V HA 0.098 4.227 4.120 0.015 0.000 0.279 77 V C 1.621 177.732 176.094 0.029 0.000 0.990 77 V CA 0.062 62.364 62.300 0.003 0.000 1.116 77 V CB -0.161 31.681 31.823 0.032 0.000 0.977 77 V HN 0.468 nan 8.190 nan 0.000 0.470 78 A N 4.857 127.688 122.820 0.018 0.000 1.933 78 A HA -0.117 4.212 4.320 0.015 0.000 0.218 78 A C 2.039 179.643 177.584 0.034 0.000 1.175 78 A CA 1.906 53.954 52.037 0.019 0.000 0.628 78 A CB -0.450 18.552 19.000 0.004 0.000 0.814 78 A HN 0.877 nan 8.150 nan 0.000 0.444 79 T N -2.275 112.306 114.554 0.044 0.000 3.324 79 T HA 0.252 4.611 4.350 0.015 0.000 0.250 79 T C 1.244 176.001 174.700 0.095 0.000 1.059 79 T CA 0.412 62.536 62.100 0.039 0.000 0.951 79 T CB -0.110 68.763 68.868 0.008 0.000 1.030 79 T HN 0.107 nan 8.240 nan 0.000 0.576 80 L N 1.710 123.028 121.223 0.159 0.000 1.994 80 L HA 0.102 4.451 4.340 0.015 0.000 0.208 80 L C 2.789 179.803 176.870 0.240 0.000 1.071 80 L CA 1.753 56.775 54.840 0.302 0.000 0.745 80 L CB -0.568 41.595 42.059 0.173 0.000 0.892 80 L HN 0.269 nan 8.230 nan 0.000 0.431 81 R N -0.441 120.132 120.500 0.122 0.000 2.081 81 R HA -0.172 4.177 4.340 0.015 0.000 0.235 81 R C 2.203 178.528 176.300 0.042 0.000 1.131 81 R CA 1.987 58.133 56.100 0.077 0.000 0.960 81 R CB -0.432 29.896 30.300 0.046 0.000 0.856 81 R HN 0.497 nan 8.270 nan 0.000 0.436 82 E N -0.304 119.906 120.200 0.016 0.000 2.028 82 E HA -0.108 4.251 4.350 0.015 0.000 0.190 82 E C 1.973 178.524 176.600 -0.082 0.000 0.984 82 E CA 1.696 58.081 56.400 -0.025 0.000 0.800 82 E CB -1.238 28.444 29.700 -0.029 0.000 0.758 82 E HN 0.616 nan 8.360 nan 0.000 0.448 83 T N -0.326 114.135 114.554 -0.154 0.000 2.770 83 T HA -0.036 4.323 4.350 0.015 0.000 0.263 83 T C 1.727 176.122 174.700 -0.508 0.000 1.039 83 T CA 1.503 63.353 62.100 -0.416 0.000 1.142 83 T CB -0.331 68.084 68.868 -0.755 0.000 0.868 83 T HN 0.605 nan 8.240 nan 0.000 0.435 84 Y N 0.487 120.799 120.300 0.020 0.000 2.462 84 Y HA 0.420 4.978 4.550 0.015 0.000 0.253 84 Y C 2.191 178.092 175.900 0.002 0.000 1.095 84 Y CA -0.325 57.790 58.100 0.024 0.000 1.283 84 Y CB -0.500 37.988 38.460 0.047 0.000 1.138 84 Y HN 0.339 nan 8.280 nan 0.000 0.522 85 G N 1.222 110.090 108.800 0.114 0.000 2.952 85 G HA2 -0.523 3.446 3.960 0.015 0.000 0.346 85 G HA3 -0.523 3.446 3.960 0.015 0.000 0.346 85 G C 1.336 176.247 174.900 0.019 0.000 1.191 85 G CA 1.132 46.262 45.100 0.051 0.000 0.961 85 G HN 0.389 nan 8.290 nan 0.000 0.588 86 E N 0.223 120.402 120.200 -0.036 0.000 2.233 86 E HA -0.197 4.161 4.350 0.015 0.000 0.199 86 E C 2.500 178.927 176.600 -0.288 0.000 1.004 86 E CA 1.588 57.899 56.400 -0.148 0.000 0.819 86 E CB -0.170 29.420 29.700 -0.183 0.000 0.738 86 E HN 0.601 nan 8.360 nan 0.000 0.478 87 M N -0.544 118.957 119.600 -0.166 0.000 2.349 87 M HA -0.026 4.463 4.480 0.015 0.000 0.266 87 M C 1.991 178.365 176.300 0.123 0.000 1.076 87 M CA 1.220 56.491 55.300 -0.049 0.000 1.126 87 M CB 0.144 32.836 32.600 0.153 0.000 1.392 87 M HN 0.067 nan 8.290 nan 0.000 0.440 88 A N 0.228 123.109 122.820 0.102 0.000 2.121 88 A HA -0.134 4.195 4.320 0.015 0.000 0.218 88 A C 1.454 179.081 177.584 0.071 0.000 1.154 88 A CA 1.584 53.691 52.037 0.118 0.000 0.679 88 A CB -0.658 18.400 19.000 0.098 0.000 0.795 88 A HN 0.532 nan 8.150 nan 0.000 0.458 89 D N -0.364 120.048 120.400 0.022 0.000 2.178 89 D HA -0.104 4.545 4.640 0.015 0.000 0.202 89 D C 1.892 178.187 176.300 -0.010 0.000 0.974 89 D CA 1.133 55.134 54.000 0.001 0.000 0.841 89 D CB -0.496 40.292 40.800 -0.019 0.000 0.953 89 D HN 0.483 nan 8.370 nan 0.000 0.478 90 c N 0.364 118.947 118.600 -0.028 0.000 2.403 90 c HA -0.173 4.406 4.570 0.015 0.000 0.277 90 c C 2.889 176.876 174.090 -0.172 0.000 1.248 90 c CA 0.123 56.343 56.329 -0.182 0.000 1.762 90 c CB -1.181 41.008 42.510 -0.536 0.000 2.014 90 c HN 0.434 nan 8.230 nan 0.000 0.486 91 c N 1.212 119.800 118.600 -0.019 0.000 2.409 91 c HA -0.032 4.546 4.570 0.015 0.000 0.288 91 c C 2.917 177.008 174.090 0.002 0.000 1.395 91 c CA 1.048 57.400 56.329 0.037 0.000 1.792 91 c CB -1.775 40.795 42.510 0.099 0.000 1.847 91 c HN 0.733 nan 8.230 nan 0.000 0.534 92 A N 0.343 123.154 122.820 -0.014 0.000 2.016 92 A HA -0.007 4.322 4.320 0.015 0.000 0.217 92 A C 1.075 178.645 177.584 -0.023 0.000 1.162 92 A CA 0.692 52.722 52.037 -0.011 0.000 0.662 92 A CB -0.125 18.871 19.000 -0.007 0.000 0.812 92 A HN 0.694 nan 8.150 nan 0.000 0.450 93 K N 0.760 121.131 120.400 -0.048 0.000 2.126 93 K HA 0.316 4.645 4.320 0.015 0.000 0.257 93 K C -0.578 175.996 176.600 -0.044 0.000 1.007 93 K CA -0.407 55.849 56.287 -0.052 0.000 0.928 93 K CB 0.611 33.064 32.500 -0.079 0.000 1.013 93 K HN 0.213 nan 8.250 nan 0.000 0.473 94 Q N 2.073 121.855 119.800 -0.030 0.000 2.303 94 Q HA -0.013 4.335 4.340 0.015 0.000 0.257 94 Q C 0.462 176.452 176.000 -0.017 0.000 0.941 94 Q CA -0.061 55.733 55.803 -0.015 0.000 0.931 94 Q CB 1.644 30.379 28.738 -0.006 0.000 1.215 94 Q HN 0.617 nan 8.270 nan 0.000 0.437 95 E N 3.304 123.503 120.200 -0.001 0.000 2.917 95 E HA -0.298 4.061 4.350 0.015 0.000 0.214 95 E C -1.038 175.555 176.600 -0.013 0.000 0.927 95 E CA 2.868 59.275 56.400 0.012 0.000 1.634 95 E CB -1.607 28.114 29.700 0.035 0.000 1.587 95 E HN 0.584 nan 8.360 nan 0.000 0.442 96 P HA -0.175 nan 4.420 nan 0.000 0.217 96 P C 1.184 178.459 177.300 -0.041 0.000 1.162 96 P CA 2.469 65.546 63.100 -0.038 0.000 0.901 96 P CB -0.156 31.526 31.700 -0.030 0.000 0.793 97 E N -0.804 119.370 120.200 -0.044 0.000 2.028 97 E HA -0.097 4.262 4.350 0.015 0.000 0.190 97 E C 2.319 178.856 176.600 -0.104 0.000 0.984 97 E CA 0.669 57.035 56.400 -0.057 0.000 0.800 97 E CB -0.694 28.976 29.700 -0.051 0.000 0.758 97 E HN 0.085 nan 8.360 nan 0.000 0.448 98 R N 0.720 121.138 120.500 -0.137 0.000 2.168 98 R HA -0.318 4.031 4.340 0.015 0.000 0.242 98 R C 2.177 178.250 176.300 -0.378 0.000 1.123 98 R CA 2.293 58.219 56.100 -0.291 0.000 0.928 98 R CB -0.473 29.717 30.300 -0.184 0.000 0.873 98 R HN 0.152 nan 8.270 nan 0.000 0.434 99 N N -0.249 118.401 118.700 -0.083 0.000 2.104 99 N HA -0.218 4.530 4.740 0.015 0.000 0.190 99 N C 1.664 177.234 175.510 0.101 0.000 1.024 99 N CA 1.705 54.832 53.050 0.128 0.000 0.853 99 N CB -0.137 38.462 38.487 0.186 0.000 1.008 99 N HN 0.205 nan 8.380 nan 0.000 0.424 100 E N 0.060 120.274 120.200 0.024 0.000 2.160 100 E HA -0.154 4.205 4.350 0.015 0.000 0.195 100 E C 2.014 178.610 176.600 -0.007 0.000 0.991 100 E CA 0.591 57.018 56.400 0.045 0.000 0.810 100 E CB -0.892 28.820 29.700 0.020 0.000 0.742 100 E HN 0.491 nan 8.360 nan 0.000 0.466 101 c N -0.515 118.021 118.600 -0.106 0.000 2.462 101 c HA -0.119 4.460 4.570 0.015 0.000 0.278 101 c C 2.401 176.471 174.090 -0.034 0.000 1.253 101 c CA 0.654 56.895 56.329 -0.146 0.000 1.713 101 c CB -1.459 40.909 42.510 -0.236 0.000 2.049 101 c HN 0.413 nan 8.230 nan 0.000 0.477 102 F N 0.685 120.725 119.950 0.150 0.000 2.126 102 F HA -0.067 4.469 4.527 0.014 0.000 0.299 102 F C 2.109 178.038 175.800 0.214 0.000 1.096 102 F CA 1.148 59.287 58.000 0.231 0.000 1.255 102 F CB -1.438 37.705 39.000 0.239 0.000 0.997 102 F HN 0.121 nan 8.300 nan 0.000 0.479 103 L N 0.039 121.472 121.223 0.351 0.000 2.079 103 L HA -0.233 4.116 4.340 0.015 0.000 0.210 103 L C 2.351 179.230 176.870 0.016 0.000 1.081 103 L CA 1.700 56.630 54.840 0.150 0.000 0.752 103 L CB -1.186 40.920 42.059 0.078 0.000 0.896 103 L HN 0.229 nan 8.230 nan 0.000 0.433 104 Q N -1.269 118.489 119.800 -0.070 0.000 2.050 104 Q HA -0.141 4.207 4.340 0.015 0.000 0.202 104 Q C 0.598 176.477 176.000 -0.202 0.000 0.980 104 Q CA 1.219 56.893 55.803 -0.216 0.000 0.840 104 Q CB -0.053 28.423 28.738 -0.436 0.000 0.898 104 Q HN 0.570 nan 8.270 nan 0.000 0.424 105 H N 0.423 119.569 119.070 0.127 0.000 2.794 105 H HA 0.243 4.808 4.556 0.015 0.000 0.256 105 H C -0.458 174.941 175.328 0.119 0.000 1.637 105 H CA 0.272 56.399 56.048 0.132 0.000 1.222 105 H CB -0.276 29.583 29.762 0.163 0.000 1.545 105 H HN -0.002 nan 8.280 nan 0.000 0.518 106 K N 1.892 122.366 120.400 0.124 0.000 2.473 106 K HA 0.087 4.416 4.320 0.015 0.000 0.246 106 K C -0.834 175.809 176.600 0.071 0.000 1.011 106 K CA -0.755 55.539 56.287 0.013 0.000 0.984 106 K CB 0.980 33.360 32.500 -0.199 0.000 1.250 106 K HN 0.190 nan 8.250 nan 0.000 0.454 107 D N 2.311 122.765 120.400 0.090 0.000 2.472 107 D HA -0.033 4.615 4.640 0.015 0.000 0.248 107 D C 1.242 177.629 176.300 0.146 0.000 1.174 107 D CA 0.853 54.921 54.000 0.114 0.000 0.883 107 D CB 1.095 41.951 40.800 0.093 0.000 1.149 107 D HN 0.670 nan 8.370 nan 0.000 0.488 108 D N 2.731 123.269 120.400 0.230 0.000 2.097 108 D HA -0.079 4.570 4.640 0.015 0.000 0.197 108 D C 0.977 177.381 176.300 0.173 0.000 0.984 108 D CA 1.344 55.537 54.000 0.320 0.000 0.826 108 D CB -0.619 40.278 40.800 0.161 0.000 0.973 108 D HN 0.567 nan 8.370 nan 0.000 0.460 109 N N 1.210 119.965 118.700 0.091 0.000 2.790 109 N HA 0.527 5.276 4.740 0.015 0.000 0.256 109 N C -2.735 172.785 175.510 0.017 0.000 1.409 109 N CA -0.923 52.150 53.050 0.039 0.000 0.799 109 N CB 0.984 39.492 38.487 0.036 0.000 1.170 109 N HN 0.329 nan 8.380 nan 0.000 0.507 110 P HA 0.146 nan 4.420 nan 0.000 0.270 110 P C -0.742 176.549 177.300 -0.016 0.000 1.223 110 P CA -0.069 63.033 63.100 0.004 0.000 0.785 110 P CB 0.824 32.526 31.700 0.004 0.000 0.923 111 N N 0.795 119.491 118.700 -0.008 0.000 2.663 111 N HA 0.304 5.053 4.740 0.015 0.000 0.250 111 N C -0.523 174.972 175.510 -0.025 0.000 1.129 111 N CA -0.103 52.938 53.050 -0.015 0.000 0.995 111 N CB -0.314 38.169 38.487 -0.007 0.000 1.324 111 N HN 0.293 nan 8.380 nan 0.000 0.512 112 L N 1.905 123.104 121.223 -0.041 0.000 2.323 112 L HA 0.657 5.005 4.340 0.015 0.000 0.265 112 L C -1.934 174.907 176.870 -0.048 0.000 1.012 112 L CA -2.070 52.740 54.840 -0.049 0.000 0.820 112 L CB 1.418 43.431 42.059 -0.076 0.000 1.334 112 L HN 0.281 nan 8.230 nan 0.000 0.427 113 P HA 0.195 nan 4.420 nan 0.000 0.271 113 P C -1.249 176.027 177.300 -0.040 0.000 1.216 113 P CA -0.631 62.448 63.100 -0.035 0.000 0.776 113 P CB 0.384 32.066 31.700 -0.029 0.000 0.881 114 R N 1.937 122.420 120.500 -0.027 0.000 2.585 114 R HA 0.177 4.526 4.340 0.015 0.000 0.275 114 R C -0.459 175.831 176.300 -0.017 0.000 1.018 114 R CA -0.403 55.683 56.100 -0.022 0.000 1.072 114 R CB -0.253 30.042 30.300 -0.007 0.000 0.953 114 R HN 0.228 nan 8.270 nan 0.000 0.419 115 L N 4.860 126.075 121.223 -0.015 0.000 2.369 115 L HA 0.136 4.484 4.340 0.015 0.000 0.279 115 L C -0.344 176.547 176.870 0.035 0.000 1.108 115 L CA -0.053 54.790 54.840 0.005 0.000 0.852 115 L CB 1.238 43.304 42.059 0.011 0.000 1.169 115 L HN 0.657 nan 8.230 nan 0.000 0.452 116 V N 3.231 123.171 119.914 0.044 0.000 2.567 116 V HA 0.521 4.650 4.120 0.015 0.000 0.289 116 V C 0.335 176.483 176.094 0.088 0.000 1.049 116 V CA -0.957 61.376 62.300 0.054 0.000 0.969 116 V CB 1.185 33.033 31.823 0.043 0.000 0.995 116 V HN 0.786 nan 8.190 nan 0.000 0.471 117 R N 5.233 125.778 120.500 0.075 0.000 2.210 117 R HA 0.421 4.770 4.340 0.015 0.000 0.338 117 R C -2.050 174.304 176.300 0.090 0.000 1.062 117 R CA -1.466 54.685 56.100 0.084 0.000 0.902 117 R CB 0.833 31.170 30.300 0.061 0.000 1.050 117 R HN 0.813 nan 8.270 nan 0.000 0.461 118 P HA 0.023 nan 4.420 nan 0.000 0.274 118 P C -0.770 176.588 177.300 0.096 0.000 1.264 118 P CA -0.229 62.939 63.100 0.112 0.000 0.795 118 P CB 0.532 32.324 31.700 0.153 0.000 1.064 119 E N -0.136 120.113 120.200 0.081 0.000 2.376 119 E HA 0.019 4.378 4.350 0.015 0.000 0.266 119 E C 1.539 178.187 176.600 0.080 0.000 1.009 119 E CA -0.132 56.308 56.400 0.067 0.000 0.902 119 E CB 0.643 30.373 29.700 0.050 0.000 0.972 119 E HN 0.088 nan 8.360 nan 0.000 0.439 120 V N 3.782 123.739 119.914 0.071 0.000 2.311 120 V HA -0.354 3.775 4.120 0.015 0.000 0.256 120 V C 1.400 177.543 176.094 0.082 0.000 1.077 120 V CA 2.431 64.779 62.300 0.082 0.000 1.067 120 V CB -0.453 31.397 31.823 0.044 0.000 0.659 120 V HN 0.616 nan 8.190 nan 0.000 0.451 121 D N -0.205 120.228 120.400 0.055 0.000 2.144 121 D HA -0.132 4.517 4.640 0.015 0.000 0.200 121 D C 2.081 178.404 176.300 0.038 0.000 0.978 121 D CA 1.555 55.579 54.000 0.041 0.000 0.833 121 D CB -0.230 40.585 40.800 0.026 0.000 0.961 121 D HN 0.513 nan 8.370 nan 0.000 0.470 122 V N -1.625 118.318 119.914 0.049 0.000 2.548 122 V HA -0.166 3.963 4.120 0.015 0.000 0.249 122 V C 2.017 178.139 176.094 0.046 0.000 1.055 122 V CA 1.101 63.431 62.300 0.049 0.000 1.065 122 V CB -0.535 31.328 31.823 0.067 0.000 0.681 122 V HN 0.132 nan 8.190 nan 0.000 0.462 123 M N -0.283 119.361 119.600 0.072 0.000 2.064 123 M HA -0.125 4.363 4.480 0.015 0.000 0.260 123 M C 2.400 178.586 176.300 -0.189 0.000 1.073 123 M CA 2.531 57.848 55.300 0.027 0.000 1.124 123 M CB -0.445 32.291 32.600 0.227 0.000 1.326 123 M HN 0.519 nan 8.290 nan 0.000 0.410 124 c N 0.071 118.681 118.600 0.016 0.000 2.413 124 c HA -0.152 4.426 4.570 0.015 0.000 0.277 124 c C 2.732 176.850 174.090 0.046 0.000 1.265 124 c CA 1.564 57.942 56.329 0.082 0.000 1.752 124 c CB -1.172 41.415 42.510 0.129 0.000 1.998 124 c HN 0.606 nan 8.230 nan 0.000 0.489 125 T N 0.782 115.330 114.554 -0.010 0.000 2.812 125 T HA -0.049 4.310 4.350 0.015 0.000 0.264 125 T C 2.133 176.807 174.700 -0.044 0.000 1.042 125 T CA 1.425 63.514 62.100 -0.019 0.000 1.140 125 T CB -0.366 68.486 68.868 -0.026 0.000 0.870 125 T HN 0.631 nan 8.240 nan 0.000 0.445 126 A N 1.372 124.113 122.820 -0.132 0.000 1.877 126 A HA -0.022 4.306 4.320 0.015 0.000 0.216 126 A C 1.999 179.376 177.584 -0.345 0.000 1.186 126 A CA 1.280 53.219 52.037 -0.164 0.000 0.620 126 A CB -1.032 17.915 19.000 -0.088 0.000 0.822 126 A HN 0.445 nan 8.150 nan 0.000 0.443 127 F N 0.373 119.775 119.950 -0.913 0.000 2.126 127 F HA -0.216 4.320 4.527 0.015 0.000 0.299 127 F C 2.072 177.705 175.800 -0.279 0.000 1.096 127 F CA 2.204 59.697 58.000 -0.846 0.000 1.255 127 F CB -0.753 37.742 39.000 -0.841 0.000 0.997 127 F HN 0.531 nan 8.300 nan 0.000 0.479 128 H N 0.115 119.030 119.070 -0.259 0.000 2.253 128 H HA -0.156 4.409 4.556 0.015 0.000 0.299 128 H C 2.150 177.345 175.328 -0.222 0.000 1.064 128 H CA 2.449 58.345 56.048 -0.253 0.000 1.264 128 H CB -0.524 29.175 29.762 -0.105 0.000 1.371 128 H HN 0.233 nan 8.280 nan 0.000 0.493 129 D N -0.300 120.150 120.400 0.084 0.000 2.133 129 D HA -0.167 4.481 4.640 0.015 0.000 0.195 129 D C 0.231 176.499 176.300 -0.053 0.000 0.997 129 D CA 1.141 55.164 54.000 0.039 0.000 0.840 129 D CB -0.111 40.725 40.800 0.059 0.000 0.947 129 D HN 0.250 nan 8.370 nan 0.000 0.452 130 N N 0.138 118.800 118.700 -0.064 0.000 2.707 130 N HA 0.047 4.796 4.740 0.015 0.000 0.249 130 N C 0.297 175.796 175.510 -0.019 0.000 1.299 130 N CA -0.107 52.924 53.050 -0.032 0.000 0.769 130 N CB 1.021 39.529 38.487 0.035 0.000 1.236 130 N HN -0.013 nan 8.380 nan 0.000 0.524 131 E N 0.362 120.474 120.200 -0.146 0.000 2.077 131 E HA -0.178 4.180 4.350 0.015 0.000 0.193 131 E C 0.872 177.544 176.600 0.120 0.000 0.989 131 E CA 0.905 57.220 56.400 -0.141 0.000 0.800 131 E CB 0.459 29.893 29.700 -0.444 0.000 0.746 131 E HN 0.569 nan 8.360 nan 0.000 0.452 132 E N 0.374 120.621 120.200 0.078 0.000 2.015 132 E HA -0.150 4.209 4.350 0.015 0.000 0.191 132 E C 2.353 179.054 176.600 0.168 0.000 0.991 132 E CA 1.753 58.228 56.400 0.126 0.000 0.802 132 E CB -0.037 29.716 29.700 0.089 0.000 0.759 132 E HN 0.283 nan 8.360 nan 0.000 0.447 133 T N -0.880 113.769 114.554 0.159 0.000 2.977 133 T HA -0.163 4.196 4.350 0.015 0.000 0.271 133 T C 1.712 176.478 174.700 0.111 0.000 1.105 133 T CA 0.889 63.093 62.100 0.173 0.000 1.116 133 T CB -0.454 68.510 68.868 0.160 0.000 0.878 133 T HN 0.167 nan 8.240 nan 0.000 0.509 134 F N 1.576 121.546 119.950 0.033 0.000 2.128 134 F HA 0.249 4.785 4.527 0.015 0.000 0.295 134 F C 1.776 177.641 175.800 0.108 0.000 1.100 134 F CA 0.889 58.919 58.000 0.050 0.000 1.260 134 F CB -0.286 38.748 39.000 0.057 0.000 1.009 134 F HN 0.128 nan 8.300 nan 0.000 0.476 135 L N -0.116 121.152 121.223 0.075 0.000 2.240 135 L HA -0.078 4.271 4.340 0.015 0.000 0.211 135 L C 2.286 179.178 176.870 0.037 0.000 1.106 135 L CA 0.547 55.384 54.840 -0.006 0.000 0.793 135 L CB -0.602 41.555 42.059 0.163 0.000 0.927 135 L HN -0.101 nan 8.230 nan 0.000 0.446 136 K N 0.429 120.892 120.400 0.106 0.000 2.097 136 K HA -0.102 4.227 4.320 0.015 0.000 0.205 136 K C 2.033 178.742 176.600 0.181 0.000 1.050 136 K CA 1.117 57.540 56.287 0.227 0.000 0.938 136 K CB -0.133 32.596 32.500 0.381 0.000 0.718 136 K HN 0.208 nan 8.250 nan 0.000 0.442 137 K N -0.563 119.672 120.400 -0.276 0.000 2.062 137 K HA -0.090 4.239 4.320 0.015 0.000 0.205 137 K C 2.064 178.470 176.600 -0.322 0.000 1.051 137 K CA 1.167 57.011 56.287 -0.739 0.000 0.941 137 K CB -0.060 31.858 32.500 -0.970 0.000 0.719 137 K HN 0.086 nan 8.250 nan 0.000 0.440 138 Y N 0.334 120.457 120.300 -0.295 0.000 2.395 138 Y HA -0.147 4.412 4.550 0.015 0.000 0.293 138 Y C 1.942 177.755 175.900 -0.145 0.000 1.123 138 Y CA 0.431 58.369 58.100 -0.270 0.000 1.227 138 Y CB 0.012 38.197 38.460 -0.457 0.000 1.012 138 Y HN 0.018 nan 8.280 nan 0.000 0.552 139 L N -0.693 120.578 121.223 0.080 0.000 2.017 139 L HA -0.237 4.112 4.340 0.015 0.000 0.208 139 L C 2.325 179.277 176.870 0.137 0.000 1.073 139 L CA 1.807 56.709 54.840 0.104 0.000 0.745 139 L CB -1.141 41.007 42.059 0.149 0.000 0.894 139 L HN 0.389 nan 8.230 nan 0.000 0.432 140 Y N 0.036 120.394 120.300 0.096 0.000 2.224 140 Y HA -0.206 4.353 4.550 0.015 0.000 0.289 140 Y C 2.232 178.170 175.900 0.063 0.000 1.146 140 Y CA 1.877 60.072 58.100 0.158 0.000 1.182 140 Y CB -0.145 38.530 38.460 0.359 0.000 0.983 140 Y HN 0.278 nan 8.280 nan 0.000 0.524 141 E N 0.415 120.478 120.200 -0.229 0.000 2.072 141 E HA -0.137 4.222 4.350 0.015 0.000 0.191 141 E C 2.184 178.639 176.600 -0.242 0.000 0.985 141 E CA 1.213 57.402 56.400 -0.352 0.000 0.801 141 E CB -0.197 29.355 29.700 -0.248 0.000 0.750 141 E HN 0.509 nan 8.360 nan 0.000 0.452 142 I N 1.193 121.688 120.570 -0.124 0.000 2.286 142 I HA -0.115 4.064 4.170 0.015 0.000 0.245 142 I C 2.449 178.533 176.117 -0.056 0.000 1.104 142 I CA 0.818 62.076 61.300 -0.070 0.000 1.397 142 I CB -1.811 36.155 38.000 -0.056 0.000 1.072 142 I HN -0.088 nan 8.210 nan 0.000 0.417 143 A N 2.389 125.180 122.820 -0.048 0.000 1.873 143 A HA -0.242 4.087 4.320 0.015 0.000 0.218 143 A C 2.494 180.047 177.584 -0.052 0.000 1.193 143 A CA 2.358 54.391 52.037 -0.007 0.000 0.629 143 A CB -0.768 18.256 19.000 0.040 0.000 0.826 143 A HN 0.536 nan 8.150 nan 0.000 0.447 144 R N -0.625 119.788 120.500 -0.145 0.000 2.120 144 R HA -0.065 4.284 4.340 0.015 0.000 0.234 144 R C 1.941 178.150 176.300 -0.152 0.000 1.123 144 R CA 1.595 57.609 56.100 -0.142 0.000 0.975 144 R CB -0.404 29.755 30.300 -0.236 0.000 0.866 144 R HN 0.462 nan 8.270 nan 0.000 0.446 145 R N -0.250 120.114 120.500 -0.228 0.000 2.193 145 R HA 0.046 4.395 4.340 0.015 0.000 0.213 145 R C 0.020 176.040 176.300 -0.467 0.000 1.055 145 R CA 0.857 56.746 56.100 -0.352 0.000 0.995 145 R CB 0.124 30.150 30.300 -0.457 0.000 0.893 145 R HN 0.442 nan 8.270 nan 0.000 0.459 146 H N -0.466 118.585 119.070 -0.032 0.000 2.448 146 H HA 0.142 4.706 4.556 0.015 0.000 0.237 146 H C -1.904 173.464 175.328 0.067 0.000 1.391 146 H CA -1.741 54.329 56.048 0.037 0.000 1.477 146 H CB 1.412 31.160 29.762 -0.023 0.000 1.520 146 H HN -0.008 nan 8.280 nan 0.000 0.502 147 P HA -0.144 nan 4.420 nan 0.000 0.229 147 P C 0.323 177.514 177.300 -0.181 0.000 1.160 147 P CA 1.043 64.086 63.100 -0.095 0.000 0.777 147 P CB 0.303 31.859 31.700 -0.241 0.000 0.814 148 Y N -2.018 118.342 120.300 0.101 0.000 2.485 148 Y HA 0.265 4.824 4.550 0.015 0.000 0.260 148 Y C 0.933 176.925 175.900 0.154 0.000 1.173 148 Y CA -0.660 57.490 58.100 0.084 0.000 1.252 148 Y CB -0.361 38.133 38.460 0.058 0.000 1.123 148 Y HN -0.192 nan 8.280 nan 0.000 0.524 149 F N 0.452 120.502 119.950 0.168 0.000 2.467 149 F HA 0.119 4.655 4.527 0.014 0.000 0.362 149 F C 0.178 176.081 175.800 0.172 0.000 1.090 149 F CA -1.231 56.866 58.000 0.162 0.000 1.202 149 F CB 0.196 39.270 39.000 0.123 0.000 1.113 149 F HN -0.012 nan 8.300 nan 0.000 0.541 150 Y N 6.804 126.946 120.300 -0.263 0.000 2.802 150 Y HA 0.146 4.705 4.550 0.015 0.000 0.351 150 Y C 1.106 177.044 175.900 0.063 0.000 1.237 150 Y CA -0.224 57.804 58.100 -0.120 0.000 1.599 150 Y CB 0.049 38.389 38.460 -0.201 0.000 1.214 150 Y HN 0.791 nan 8.280 nan 0.000 0.520 151 A N 7.626 130.300 122.820 -0.244 0.000 1.882 151 A HA -0.251 4.078 4.320 0.015 0.000 0.220 151 A C -0.227 177.224 177.584 -0.222 0.000 1.253 151 A CA 2.159 54.089 52.037 -0.179 0.000 0.664 151 A CB -1.940 16.931 19.000 -0.216 0.000 0.838 151 A HN 0.692 nan 8.150 nan 0.000 0.460 152 P HA -0.143 nan 4.420 nan 0.000 0.220 152 P C 1.256 178.527 177.300 -0.048 0.000 1.144 152 P CA 1.553 64.484 63.100 -0.282 0.000 0.800 152 P CB -0.024 31.454 31.700 -0.369 0.000 0.772 153 E N -1.157 119.057 120.200 0.024 0.000 2.250 153 E HA -0.065 4.294 4.350 0.015 0.000 0.192 153 E C 1.631 178.602 176.600 0.618 0.000 0.986 153 E CA 0.240 56.805 56.400 0.275 0.000 0.849 153 E CB -0.229 29.639 29.700 0.280 0.000 0.797 153 E HN 0.062 nan 8.360 nan 0.000 0.482 154 L N 0.960 122.541 121.223 0.597 0.000 2.109 154 L HA -0.080 4.269 4.340 0.015 0.000 0.207 154 L C 2.132 179.236 176.870 0.390 0.000 1.086 154 L CA 1.044 56.233 54.840 0.582 0.000 0.760 154 L CB -0.439 41.860 42.059 0.399 0.000 0.910 154 L HN 0.194 nan 8.230 nan 0.000 0.437 155 L N -1.647 119.730 121.223 0.257 0.000 2.291 155 L HA -0.136 4.213 4.340 0.015 0.000 0.214 155 L C 2.171 179.150 176.870 0.182 0.000 1.120 155 L CA 1.370 56.315 54.840 0.175 0.000 0.799 155 L CB -0.724 41.391 42.059 0.093 0.000 0.925 155 L HN 0.318 nan 8.230 nan 0.000 0.446 156 F N -0.951 119.019 119.950 0.034 0.000 2.206 156 F HA -0.144 4.392 4.527 0.015 0.000 0.298 156 F C 1.830 177.575 175.800 -0.092 0.000 1.090 156 F CA 1.343 59.268 58.000 -0.124 0.000 1.323 156 F CB -0.378 38.394 39.000 -0.380 0.000 1.028 156 F HN 0.056 nan 8.300 nan 0.000 0.492 157 F N 0.701 120.666 119.950 0.025 0.000 2.146 157 F HA -0.019 4.516 4.527 0.014 0.000 0.298 157 F C 2.641 178.481 175.800 0.068 0.000 1.096 157 F CA 1.239 59.221 58.000 -0.030 0.000 1.275 157 F CB -1.342 37.780 39.000 0.203 0.000 1.008 157 F HN 0.075 nan 8.300 nan 0.000 0.480 158 A N 0.497 123.516 122.820 0.332 0.000 1.903 158 A HA -0.292 4.037 4.320 0.015 0.000 0.219 158 A C 2.196 179.901 177.584 0.201 0.000 1.191 158 A CA 2.250 54.453 52.037 0.277 0.000 0.638 158 A CB -0.734 18.380 19.000 0.190 0.000 0.823 158 A HN 0.415 nan 8.150 nan 0.000 0.451 159 K N -1.005 119.429 120.400 0.057 0.000 2.217 159 K HA -0.044 4.284 4.320 0.015 0.000 0.202 159 K C 2.111 178.684 176.600 -0.044 0.000 1.051 159 K CA 1.133 57.426 56.287 0.011 0.000 0.952 159 K CB -0.110 32.360 32.500 -0.050 0.000 0.736 159 K HN 0.398 nan 8.250 nan 0.000 0.453 160 R N -0.429 119.972 120.500 -0.166 0.000 2.193 160 R HA -0.043 4.306 4.340 0.015 0.000 0.213 160 R C 1.621 177.829 176.300 -0.153 0.000 1.055 160 R CA 0.922 56.883 56.100 -0.232 0.000 0.995 160 R CB -0.046 30.013 30.300 -0.401 0.000 0.893 160 R HN 0.192 nan 8.270 nan 0.000 0.459 161 Y N 0.698 121.009 120.300 0.018 0.000 2.206 161 Y HA -0.098 4.461 4.550 0.015 0.000 0.292 161 Y C 2.319 178.325 175.900 0.175 0.000 1.123 161 Y CA 1.240 59.392 58.100 0.088 0.000 1.142 161 Y CB -0.011 38.538 38.460 0.150 0.000 1.006 161 Y HN -0.116 nan 8.280 nan 0.000 0.518 162 K N 0.230 120.831 120.400 0.335 0.000 2.211 162 K HA -0.114 4.215 4.320 0.015 0.000 0.203 162 K C 2.047 178.766 176.600 0.198 0.000 1.050 162 K CA 1.092 57.564 56.287 0.309 0.000 0.945 162 K CB -0.183 32.495 32.500 0.297 0.000 0.732 162 K HN 0.223 nan 8.250 nan 0.000 0.451 163 A N 0.782 123.661 122.820 0.098 0.000 1.968 163 A HA 0.037 4.365 4.320 0.015 0.000 0.217 163 A C 2.262 179.835 177.584 -0.018 0.000 1.169 163 A CA 1.403 53.463 52.037 0.038 0.000 0.638 163 A CB -0.560 18.428 19.000 -0.019 0.000 0.812 163 A HN 0.455 nan 8.150 nan 0.000 0.446 164 A N -1.615 121.148 122.820 -0.095 0.000 2.016 164 A HA 0.195 4.524 4.320 0.015 0.000 0.217 164 A C 1.795 179.186 177.584 -0.322 0.000 1.162 164 A CA 0.970 52.873 52.037 -0.223 0.000 0.662 164 A CB -0.546 18.255 19.000 -0.332 0.000 0.812 164 A HN 0.422 nan 8.150 nan 0.000 0.450 165 F N -0.119 119.664 119.950 -0.280 0.000 2.293 165 F HA -0.026 4.510 4.527 0.015 0.000 0.297 165 F C 2.662 178.260 175.800 -0.337 0.000 1.089 165 F CA 1.618 59.269 58.000 -0.581 0.000 1.377 165 F CB -0.650 37.480 39.000 -1.451 0.000 1.051 165 F HN 0.098 nan 8.300 nan 0.000 0.511 166 T N -0.605 114.003 114.554 0.090 0.000 2.737 166 T HA -0.211 4.148 4.350 0.015 0.000 0.265 166 T C 1.931 176.724 174.700 0.154 0.000 1.038 166 T CA 1.686 63.966 62.100 0.300 0.000 1.144 166 T CB -0.175 68.850 68.868 0.262 0.000 0.866 166 T HN 0.361 nan 8.240 nan 0.000 0.434 167 E N -0.311 119.923 120.200 0.057 0.000 2.016 167 E HA -0.114 4.244 4.350 0.015 0.000 0.190 167 E C 2.338 178.943 176.600 0.009 0.000 0.985 167 E CA 1.313 57.727 56.400 0.023 0.000 0.802 167 E CB -0.215 29.477 29.700 -0.014 0.000 0.762 167 E HN 0.449 nan 8.360 nan 0.000 0.448 168 c N 0.535 119.110 118.600 -0.041 0.000 2.440 168 c HA -0.039 4.540 4.570 0.015 0.000 0.278 168 c C 2.693 176.786 174.090 0.005 0.000 1.295 168 c CA 0.205 56.506 56.329 -0.048 0.000 1.738 168 c CB -0.850 41.583 42.510 -0.128 0.000 1.987 168 c HN 0.631 nan 8.230 nan 0.000 0.492 169 c N 0.592 119.225 118.600 0.056 0.000 2.485 169 c HA 0.049 4.628 4.570 0.015 0.000 0.283 169 c C 2.821 176.983 174.090 0.120 0.000 1.478 169 c CA 1.475 57.878 56.329 0.124 0.000 1.741 169 c CB -2.113 40.548 42.510 0.252 0.000 1.675 169 c HN 0.818 nan 8.230 nan 0.000 0.573 170 Q N -0.450 119.407 119.800 0.094 0.000 2.281 170 Q HA 0.634 4.983 4.340 0.015 0.000 0.215 170 Q C 0.909 176.938 176.000 0.047 0.000 0.867 170 Q CA 0.775 56.626 55.803 0.080 0.000 0.940 170 Q CB -0.090 28.698 28.738 0.084 0.000 1.111 170 Q HN 0.685 nan 8.270 nan 0.000 0.513 171 A N 0.051 122.891 122.820 0.033 0.000 2.304 171 A HA 0.753 5.082 4.320 0.015 0.000 0.271 171 A C 1.639 179.232 177.584 0.016 0.000 1.091 171 A CA 0.265 52.313 52.037 0.018 0.000 0.812 171 A CB 0.318 19.320 19.000 0.005 0.000 1.056 171 A HN 0.959 nan 8.150 nan 0.000 0.489 172 A N 0.024 122.851 122.820 0.010 0.000 1.897 172 A HA 0.020 4.349 4.320 0.015 0.000 0.215 172 A C 1.009 178.596 177.584 0.005 0.000 1.181 172 A CA 1.680 53.721 52.037 0.008 0.000 0.620 172 A CB -0.195 18.808 19.000 0.006 0.000 0.821 172 A HN 0.693 nan 8.150 nan 0.000 0.443 173 D N -0.217 120.184 120.400 0.002 0.000 2.781 173 D HA 0.235 4.884 4.640 0.015 0.000 0.254 173 D C 0.906 177.203 176.300 -0.006 0.000 1.213 173 D CA -0.090 53.909 54.000 -0.002 0.000 0.994 173 D CB 0.152 40.950 40.800 -0.005 0.000 1.019 173 D HN 0.338 nan 8.370 nan 0.000 0.514 174 K N 0.573 120.972 120.400 -0.002 0.000 1.987 174 K HA -0.214 4.115 4.320 0.015 0.000 0.216 174 K C 1.932 178.519 176.600 -0.021 0.000 1.051 174 K CA 1.497 57.779 56.287 -0.007 0.000 0.942 174 K CB -0.198 32.307 32.500 0.010 0.000 0.722 174 K HN 0.244 nan 8.250 nan 0.000 0.444 175 A N 1.786 124.600 122.820 -0.011 0.000 1.903 175 A HA -0.231 4.098 4.320 0.015 0.000 0.219 175 A C 2.455 180.025 177.584 -0.023 0.000 1.191 175 A CA 2.391 54.419 52.037 -0.014 0.000 0.638 175 A CB -0.961 18.038 19.000 -0.003 0.000 0.823 175 A HN 0.442 nan 8.150 nan 0.000 0.451 176 A N -1.852 120.957 122.820 -0.018 0.000 2.070 176 A HA -0.106 4.223 4.320 0.015 0.000 0.220 176 A C 2.283 179.849 177.584 -0.030 0.000 1.159 176 A CA 1.707 53.732 52.037 -0.020 0.000 0.656 176 A CB -1.055 17.937 19.000 -0.014 0.000 0.800 176 A HN 0.785 nan 8.150 nan 0.000 0.453 177 c N -1.800 116.776 118.600 -0.040 0.000 2.684 177 c HA 0.201 4.780 4.570 0.015 0.000 0.283 177 c C 2.301 176.338 174.090 -0.089 0.000 1.346 177 c CA 0.864 57.159 56.329 -0.056 0.000 1.707 177 c CB -1.108 41.371 42.510 -0.052 0.000 2.137 177 c HN 0.519 nan 8.230 nan 0.000 0.544 178 L N 1.286 122.440 121.223 -0.115 0.000 1.971 178 L HA -0.083 4.266 4.340 0.015 0.000 0.215 178 L C 2.306 179.088 176.870 -0.146 0.000 1.072 178 L CA 2.017 56.746 54.840 -0.186 0.000 0.758 178 L CB -1.265 40.668 42.059 -0.210 0.000 0.889 178 L HN 0.300 nan 8.230 nan 0.000 0.433 179 L N 0.264 121.435 121.223 -0.086 0.000 2.021 179 L HA -0.203 4.146 4.340 0.015 0.000 0.215 179 L C -0.439 176.403 176.870 -0.045 0.000 1.074 179 L CA 2.604 57.413 54.840 -0.052 0.000 0.760 179 L CB -2.288 39.756 42.059 -0.025 0.000 0.889 179 L HN 0.310 nan 8.230 nan 0.000 0.433 180 P HA -0.149 nan 4.420 nan 0.000 0.226 180 P C 1.150 178.421 177.300 -0.047 0.000 1.153 180 P CA 1.339 64.419 63.100 -0.034 0.000 0.777 180 P CB 0.011 31.694 31.700 -0.027 0.000 0.794 181 K N -0.224 120.126 120.400 -0.083 0.000 2.098 181 K HA 0.105 4.434 4.320 0.015 0.000 0.203 181 K C 2.246 178.774 176.600 -0.120 0.000 1.051 181 K CA 0.694 56.913 56.287 -0.114 0.000 0.957 181 K CB -0.470 31.930 32.500 -0.166 0.000 0.738 181 K HN 0.158 nan 8.250 nan 0.000 0.447 182 L N 1.469 122.634 121.223 -0.097 0.000 2.275 182 L HA -0.161 4.188 4.340 0.015 0.000 0.215 182 L C 1.336 178.220 176.870 0.024 0.000 1.119 182 L CA 1.067 55.903 54.840 -0.007 0.000 0.790 182 L CB -0.398 41.670 42.059 0.015 0.000 0.919 182 L HN 0.181 nan 8.230 nan 0.000 0.443 183 D N -0.431 119.969 120.400 -0.001 0.000 2.183 183 D HA -0.151 4.498 4.640 0.015 0.000 0.205 183 D C 1.991 178.303 176.300 0.020 0.000 0.962 183 D CA 0.751 54.761 54.000 0.017 0.000 0.849 183 D CB 0.236 41.044 40.800 0.012 0.000 0.978 183 D HN 0.284 nan 8.370 nan 0.000 0.488 184 E N -0.030 120.171 120.200 0.003 0.000 2.028 184 E HA -0.146 4.213 4.350 0.015 0.000 0.191 184 E C 1.907 178.525 176.600 0.030 0.000 0.988 184 E CA 0.596 57.007 56.400 0.018 0.000 0.799 184 E CB -0.036 29.664 29.700 0.000 0.000 0.755 184 E HN -0.027 nan 8.360 nan 0.000 0.447 185 L N 1.447 122.652 121.223 -0.031 0.000 2.013 185 L HA -0.201 4.148 4.340 0.015 0.000 0.212 185 L C 2.568 179.455 176.870 0.028 0.000 1.073 185 L CA 1.843 56.653 54.840 -0.050 0.000 0.753 185 L CB -0.859 40.948 42.059 -0.419 0.000 0.890 185 L HN 0.164 nan 8.230 nan 0.000 0.432 186 R N -0.438 120.095 120.500 0.056 0.000 2.097 186 R HA -0.204 4.145 4.340 0.015 0.000 0.236 186 R C 2.004 178.319 176.300 0.025 0.000 1.135 186 R CA 2.120 58.253 56.100 0.054 0.000 0.934 186 R CB -0.451 29.888 30.300 0.064 0.000 0.846 186 R HN 0.417 nan 8.270 nan 0.000 0.431 187 D N -0.009 120.420 120.400 0.049 0.000 2.178 187 D HA -0.163 4.486 4.640 0.015 0.000 0.201 187 D C 1.741 178.101 176.300 0.100 0.000 0.980 187 D CA 1.074 55.113 54.000 0.065 0.000 0.842 187 D CB 0.015 40.857 40.800 0.070 0.000 0.948 187 D HN 0.439 nan 8.370 nan 0.000 0.472 188 E N -0.005 120.275 120.200 0.132 0.000 2.047 188 E HA -0.109 4.250 4.350 0.015 0.000 0.191 188 E C 2.118 178.857 176.600 0.231 0.000 0.987 188 E CA 0.944 57.485 56.400 0.234 0.000 0.799 188 E CB -0.087 29.812 29.700 0.332 0.000 0.752 188 E HN 0.211 nan 8.360 nan 0.000 0.449 189 G N 0.820 109.608 108.800 -0.021 0.000 2.422 189 G HA2 -0.222 3.747 3.960 0.015 0.000 0.218 189 G HA3 -0.222 3.747 3.960 0.015 0.000 0.218 189 G C 1.472 176.289 174.900 -0.137 0.000 1.140 189 G CA 0.359 45.222 45.100 -0.394 0.000 0.775 189 G HN 0.097 nan 8.290 nan 0.000 0.545 190 K N 0.418 120.779 120.400 -0.065 0.000 2.103 190 K HA 0.086 4.415 4.320 0.015 0.000 0.204 190 K C 2.917 179.554 176.600 0.061 0.000 1.052 190 K CA 0.900 57.172 56.287 -0.023 0.000 0.945 190 K CB -0.124 32.377 32.500 0.003 0.000 0.722 190 K HN 0.267 nan 8.250 nan 0.000 0.443 191 A N 1.105 123.991 122.820 0.111 0.000 1.897 191 A HA -0.146 4.183 4.320 0.015 0.000 0.215 191 A C 2.183 179.863 177.584 0.160 0.000 1.181 191 A CA 1.965 54.087 52.037 0.141 0.000 0.620 191 A CB -0.549 18.559 19.000 0.180 0.000 0.821 191 A HN 0.331 nan 8.150 nan 0.000 0.443 192 S N -0.356 115.482 115.700 0.230 0.000 2.399 192 S HA -0.148 4.331 4.470 0.015 0.000 0.231 192 S C 2.241 176.995 174.600 0.257 0.000 1.022 192 S CA 2.019 60.389 58.200 0.283 0.000 0.983 192 S CB -0.491 63.010 63.200 0.503 0.000 0.803 192 S HN 0.659 nan 8.310 nan 0.000 0.480 193 S N 1.057 116.933 115.700 0.293 0.000 2.357 193 S HA 0.131 4.610 4.470 0.015 0.000 0.221 193 S C 2.195 176.879 174.600 0.139 0.000 1.031 193 S CA 1.210 59.578 58.200 0.280 0.000 0.982 193 S CB -0.990 62.305 63.200 0.157 0.000 0.853 193 S HN 0.771 nan 8.310 nan 0.000 0.458 194 A N 1.394 124.274 122.820 0.101 0.000 1.940 194 A HA -0.088 4.241 4.320 0.015 0.000 0.219 194 A C 2.183 179.799 177.584 0.053 0.000 1.176 194 A CA 1.770 53.848 52.037 0.069 0.000 0.631 194 A CB -0.656 18.381 19.000 0.062 0.000 0.814 194 A HN 0.646 nan 8.150 nan 0.000 0.446 195 K N -0.685 119.752 120.400 0.062 0.000 2.057 195 K HA -0.214 4.115 4.320 0.015 0.000 0.207 195 K C 2.428 179.046 176.600 0.030 0.000 1.049 195 K CA 1.715 58.026 56.287 0.040 0.000 0.931 195 K CB -0.157 32.376 32.500 0.055 0.000 0.714 195 K HN 0.789 nan 8.250 nan 0.000 0.440 196 Q N 0.529 120.355 119.800 0.042 0.000 2.123 196 Q HA -0.162 4.187 4.340 0.015 0.000 0.199 196 Q C 2.125 178.133 176.000 0.014 0.000 0.966 196 Q CA 1.663 57.480 55.803 0.024 0.000 0.845 196 Q CB -0.060 28.669 28.738 -0.014 0.000 0.907 196 Q HN 0.174 nan 8.270 nan 0.000 0.439 197 R N 0.684 121.197 120.500 0.022 0.000 2.193 197 R HA 0.024 4.373 4.340 0.015 0.000 0.213 197 R C 1.984 178.274 176.300 -0.018 0.000 1.055 197 R CA 1.214 57.312 56.100 -0.003 0.000 0.995 197 R CB -1.062 29.248 30.300 0.016 0.000 0.893 197 R HN 0.443 nan 8.270 nan 0.000 0.459 198 L N 0.073 121.290 121.223 -0.010 0.000 2.162 198 L HA 0.187 4.536 4.340 0.015 0.000 0.205 198 L C 2.070 178.909 176.870 -0.052 0.000 1.086 198 L CA 1.763 56.589 54.840 -0.024 0.000 0.778 198 L CB -0.128 41.918 42.059 -0.021 0.000 0.928 198 L HN 0.268 nan 8.230 nan 0.000 0.446 199 K N -1.254 119.112 120.400 -0.057 0.000 2.097 199 K HA -0.115 4.214 4.320 0.015 0.000 0.205 199 K C 2.019 178.573 176.600 -0.076 0.000 1.050 199 K CA 1.536 57.772 56.287 -0.084 0.000 0.938 199 K CB -0.250 32.244 32.500 -0.010 0.000 0.718 199 K HN 0.432 nan 8.250 nan 0.000 0.442 200 c N 0.137 118.704 118.600 -0.055 0.000 2.448 200 c HA 0.054 4.633 4.570 0.015 0.000 0.280 200 c C 2.666 176.708 174.090 -0.079 0.000 1.398 200 c CA 0.406 56.687 56.329 -0.079 0.000 1.774 200 c CB -0.695 41.772 42.510 -0.071 0.000 1.888 200 c HN 0.494 nan 8.230 nan 0.000 0.519 201 A N 0.941 123.727 122.820 -0.056 0.000 1.872 201 A HA -0.101 4.228 4.320 0.015 0.000 0.214 201 A C 2.264 179.843 177.584 -0.008 0.000 1.187 201 A CA 2.147 54.160 52.037 -0.040 0.000 0.614 201 A CB -0.781 18.207 19.000 -0.019 0.000 0.826 201 A HN 0.525 nan 8.150 nan 0.000 0.442 202 S N -0.145 115.577 115.700 0.037 0.000 2.348 202 S HA -0.172 4.307 4.470 0.015 0.000 0.221 202 S C 1.870 176.547 174.600 0.129 0.000 1.033 202 S CA 1.466 59.773 58.200 0.179 0.000 1.010 202 S CB -0.615 62.630 63.200 0.075 0.000 0.891 202 S HN 0.431 nan 8.310 nan 0.000 0.442 203 L N 1.642 122.848 121.223 -0.027 0.000 2.089 203 L HA -0.296 4.053 4.340 0.015 0.000 0.213 203 L C 3.000 179.831 176.870 -0.065 0.000 1.079 203 L CA 2.383 57.144 54.840 -0.131 0.000 0.758 203 L CB -0.822 41.035 42.059 -0.337 0.000 0.891 203 L HN 0.499 nan 8.230 nan 0.000 0.433 204 Q N -0.486 119.275 119.800 -0.066 0.000 1.994 204 Q HA -0.200 4.148 4.340 0.015 0.000 0.198 204 Q C 2.229 178.167 176.000 -0.104 0.000 0.976 204 Q CA 1.774 57.532 55.803 -0.075 0.000 0.828 204 Q CB -0.676 28.013 28.738 -0.080 0.000 0.894 204 Q HN 0.594 nan 8.270 nan 0.000 0.432 205 K N -0.366 119.933 120.400 -0.169 0.000 1.969 205 K HA -0.040 4.289 4.320 0.015 0.000 0.216 205 K C 1.874 178.222 176.600 -0.420 0.000 1.048 205 K CA 1.699 57.747 56.287 -0.397 0.000 0.948 205 K CB -0.374 31.695 32.500 -0.718 0.000 0.726 205 K HN 0.487 nan 8.250 nan 0.000 0.442 206 F N 0.898 120.841 119.950 -0.012 0.000 2.748 206 F HA 0.128 4.664 4.527 0.015 0.000 0.299 206 F C 1.392 177.205 175.800 0.021 0.000 1.154 206 F CA 0.438 58.442 58.000 0.007 0.000 1.446 206 F CB -0.524 38.483 39.000 0.012 0.000 1.112 206 F HN 0.287 nan 8.300 nan 0.000 0.584 207 G N 0.619 109.500 108.800 0.134 0.000 2.860 207 G HA2 -0.318 3.651 3.960 0.015 0.000 0.553 207 G HA3 -0.318 3.651 3.960 0.015 0.000 0.553 207 G C 0.482 175.467 174.900 0.141 0.000 1.439 207 G CA 0.081 45.239 45.100 0.096 0.000 0.879 207 G HN 0.295 nan 8.290 nan 0.000 0.545 208 E N -0.363 119.903 120.200 0.109 0.000 2.065 208 E HA -0.240 4.119 4.350 0.015 0.000 0.201 208 E C 2.623 179.342 176.600 0.198 0.000 1.016 208 E CA 1.823 58.315 56.400 0.153 0.000 0.818 208 E CB -0.115 29.647 29.700 0.104 0.000 0.749 208 E HN 0.523 nan 8.360 nan 0.000 0.453 209 R N -0.251 120.340 120.500 0.151 0.000 2.115 209 R HA -0.246 4.103 4.340 0.015 0.000 0.239 209 R C 2.260 178.651 176.300 0.152 0.000 1.133 209 R CA 1.703 57.888 56.100 0.142 0.000 0.935 209 R CB -0.478 29.895 30.300 0.120 0.000 0.853 209 R HN 0.262 nan 8.270 nan 0.000 0.433 210 A N -0.040 122.878 122.820 0.162 0.000 1.972 210 A HA -0.195 4.133 4.320 0.015 0.000 0.219 210 A C 1.969 179.652 177.584 0.164 0.000 1.169 210 A CA 1.317 53.434 52.037 0.135 0.000 0.635 210 A CB -0.677 18.396 19.000 0.122 0.000 0.810 210 A HN 0.539 nan 8.150 nan 0.000 0.446 211 F N 0.503 120.495 119.950 0.070 0.000 2.206 211 F HA -0.033 4.502 4.527 0.015 0.000 0.298 211 F C 2.095 177.984 175.800 0.148 0.000 1.090 211 F CA 1.765 59.805 58.000 0.067 0.000 1.323 211 F CB -0.090 38.915 39.000 0.008 0.000 1.028 211 F HN 0.099 nan 8.300 nan 0.000 0.492 212 K N 0.174 120.657 120.400 0.140 0.000 2.025 212 K HA -0.096 4.232 4.320 0.015 0.000 0.207 212 K C 2.322 178.918 176.600 -0.006 0.000 1.049 212 K CA 1.170 57.485 56.287 0.046 0.000 0.933 212 K CB -0.583 31.987 32.500 0.116 0.000 0.714 212 K HN 0.311 nan 8.250 nan 0.000 0.438 213 A N 0.839 123.689 122.820 0.050 0.000 1.940 213 A HA -0.208 4.121 4.320 0.015 0.000 0.219 213 A C 1.929 179.505 177.584 -0.015 0.000 1.176 213 A CA 1.421 53.481 52.037 0.039 0.000 0.631 213 A CB -0.864 18.176 19.000 0.067 0.000 0.814 213 A HN 0.602 nan 8.150 nan 0.000 0.446 214 W N 0.505 121.678 121.300 -0.211 0.000 2.378 214 W HA -0.079 4.588 4.660 0.012 0.000 0.313 214 W C 2.454 178.777 176.519 -0.327 0.000 1.197 214 W CA 2.218 59.400 57.345 -0.272 0.000 1.304 214 W CB -0.292 28.971 29.460 -0.327 0.000 1.148 214 W HN 0.322 nan 8.180 nan 0.000 0.494 215 A N -0.254 122.383 122.820 -0.304 0.000 1.972 215 A HA -0.145 4.184 4.320 0.015 0.000 0.219 215 A C 1.996 179.362 177.584 -0.363 0.000 1.169 215 A CA 2.027 53.791 52.037 -0.455 0.000 0.635 215 A CB -1.121 17.651 19.000 -0.380 0.000 0.810 215 A HN 0.223 nan 8.150 nan 0.000 0.446 216 V N -0.351 119.423 119.914 -0.234 0.000 2.270 216 V HA -0.218 3.910 4.120 0.015 0.000 0.245 216 V C 3.076 179.066 176.094 -0.172 0.000 1.043 216 V CA 1.948 64.164 62.300 -0.140 0.000 1.014 216 V CB -1.091 30.718 31.823 -0.023 0.000 0.645 216 V HN 0.605 nan 8.190 nan 0.000 0.447 217 A N -0.031 122.650 122.820 -0.232 0.000 1.940 217 A HA -0.277 4.051 4.320 0.015 0.000 0.219 217 A C 2.268 179.629 177.584 -0.372 0.000 1.176 217 A CA 2.316 54.195 52.037 -0.262 0.000 0.631 217 A CB -0.521 18.311 19.000 -0.279 0.000 0.814 217 A HN 0.506 nan 8.150 nan 0.000 0.446 218 R N -0.248 119.909 120.500 -0.572 0.000 2.064 218 R HA 0.014 4.362 4.340 0.015 0.000 0.228 218 R C 2.021 178.020 176.300 -0.502 0.000 1.144 218 R CA 1.708 57.418 56.100 -0.651 0.000 0.932 218 R CB -0.768 28.904 30.300 -1.047 0.000 0.833 218 R HN 0.445 nan 8.270 nan 0.000 0.429 219 L N 0.629 121.580 121.223 -0.453 0.000 2.043 219 L HA -0.207 4.142 4.340 0.015 0.000 0.212 219 L C 2.289 178.948 176.870 -0.352 0.000 1.075 219 L CA 1.890 56.471 54.840 -0.432 0.000 0.752 219 L CB -0.463 41.465 42.059 -0.217 0.000 0.891 219 L HN 0.456 nan 8.230 nan 0.000 0.432 220 S N -1.899 113.696 115.700 -0.175 0.000 2.555 220 S HA -0.161 4.318 4.470 0.015 0.000 0.230 220 S C 1.725 176.224 174.600 -0.169 0.000 0.978 220 S CA 0.495 58.663 58.200 -0.053 0.000 0.934 220 S CB 0.012 63.264 63.200 0.086 0.000 0.766 220 S HN 0.470 nan 8.310 nan 0.000 0.533 221 Q N 0.619 120.266 119.800 -0.256 0.000 2.204 221 Q HA 0.206 4.554 4.340 0.015 0.000 0.198 221 Q C 2.423 178.276 176.000 -0.245 0.000 0.946 221 Q CA 0.429 56.086 55.803 -0.244 0.000 0.859 221 Q CB 0.067 28.649 28.738 -0.261 0.000 0.946 221 Q HN 0.525 nan 8.270 nan 0.000 0.474 222 R N -0.721 119.549 120.500 -0.384 0.000 2.075 222 R HA -0.011 4.338 4.340 0.015 0.000 0.226 222 R C -0.079 176.124 176.300 -0.162 0.000 1.114 222 R CA 0.697 56.535 56.100 -0.437 0.000 0.972 222 R CB 0.399 30.170 30.300 -0.881 0.000 0.869 222 R HN 0.065 nan 8.270 nan 0.000 0.437 223 F N 0.979 120.893 119.950 -0.060 0.000 2.434 223 F HA 0.337 4.873 4.527 0.016 0.000 0.316 223 F C -1.761 174.027 175.800 -0.021 0.000 1.222 223 F CA -3.394 54.587 58.000 -0.031 0.000 1.207 223 F CB 1.033 40.028 39.000 -0.008 0.000 1.466 223 F HN -0.066 nan 8.300 nan 0.000 0.545 224 P HA -0.112 nan 4.420 nan 0.000 0.230 224 P C 1.001 178.310 177.300 0.014 0.000 1.158 224 P CA 1.140 64.223 63.100 -0.027 0.000 0.769 224 P CB 0.393 32.035 31.700 -0.097 0.000 0.807 225 K N -0.504 119.939 120.400 0.072 0.000 2.323 225 K HA 0.226 4.555 4.320 0.015 0.000 0.197 225 K C 1.183 177.851 176.600 0.113 0.000 1.043 225 K CA -0.009 56.317 56.287 0.065 0.000 0.997 225 K CB -0.044 32.475 32.500 0.032 0.000 0.807 225 K HN 0.036 nan 8.250 nan 0.000 0.497 226 A N 1.729 124.643 122.820 0.157 0.000 2.466 226 A HA 0.023 4.352 4.320 0.015 0.000 0.238 226 A C -0.326 177.408 177.584 0.251 0.000 1.074 226 A CA 0.057 52.187 52.037 0.156 0.000 0.774 226 A CB 0.146 19.246 19.000 0.167 0.000 1.015 226 A HN 0.213 nan 8.150 nan 0.000 0.498 227 E N -0.076 120.209 120.200 0.143 0.000 2.313 227 E HA 0.262 4.620 4.350 0.015 0.000 0.272 227 E C 0.197 176.738 176.600 -0.098 0.000 1.038 227 E CA -0.344 56.120 56.400 0.108 0.000 0.863 227 E CB 0.648 30.390 29.700 0.071 0.000 1.060 227 E HN 0.598 nan 8.360 nan 0.000 0.402 228 F N 2.905 122.500 119.950 -0.591 0.000 2.287 228 F HA -0.249 4.287 4.527 0.014 0.000 0.301 228 F C 1.665 177.283 175.800 -0.303 0.000 1.069 228 F CA 1.665 59.174 58.000 -0.819 0.000 1.372 228 F CB 0.102 38.589 39.000 -0.856 0.000 1.056 228 F HN 0.553 nan 8.300 nan 0.000 0.523 229 A N -0.500 122.258 122.820 -0.103 0.000 1.897 229 A HA -0.117 4.212 4.320 0.015 0.000 0.215 229 A C 2.048 179.559 177.584 -0.121 0.000 1.181 229 A CA 1.505 53.496 52.037 -0.077 0.000 0.620 229 A CB -0.645 18.367 19.000 0.020 0.000 0.821 229 A HN 0.373 nan 8.150 nan 0.000 0.443 230 E N -0.112 120.041 120.200 -0.077 0.000 2.047 230 E HA -0.088 4.271 4.350 0.015 0.000 0.191 230 E C 1.982 178.551 176.600 -0.052 0.000 0.987 230 E CA 1.278 57.670 56.400 -0.014 0.000 0.799 230 E CB -0.451 29.262 29.700 0.022 0.000 0.752 230 E HN 0.216 nan 8.360 nan 0.000 0.449 231 V N 0.206 120.043 119.914 -0.127 0.000 2.282 231 V HA -0.302 3.826 4.120 0.015 0.000 0.249 231 V C 2.375 178.318 176.094 -0.252 0.000 1.057 231 V CA 2.056 64.271 62.300 -0.141 0.000 1.032 231 V CB -0.691 31.016 31.823 -0.193 0.000 0.645 231 V HN 0.234 nan 8.190 nan 0.000 0.447 232 S N -0.946 114.479 115.700 -0.459 0.000 2.353 232 S HA -0.235 4.244 4.470 0.015 0.000 0.222 232 S C 2.142 176.638 174.600 -0.174 0.000 1.035 232 S CA 1.596 59.565 58.200 -0.385 0.000 1.025 232 S CB -0.342 62.599 63.200 -0.432 0.000 0.902 232 S HN 0.445 nan 8.310 nan 0.000 0.440 233 K N 1.240 121.562 120.400 -0.131 0.000 2.015 233 K HA -0.135 4.194 4.320 0.015 0.000 0.216 233 K C 2.049 178.605 176.600 -0.074 0.000 1.052 233 K CA 1.585 57.819 56.287 -0.089 0.000 0.937 233 K CB -0.839 31.630 32.500 -0.052 0.000 0.719 233 K HN 0.362 nan 8.250 nan 0.000 0.446 234 L N 0.350 121.563 121.223 -0.018 0.000 1.994 234 L HA -0.189 4.159 4.340 0.015 0.000 0.208 234 L C 2.609 179.495 176.870 0.026 0.000 1.071 234 L CA 0.991 55.853 54.840 0.036 0.000 0.745 234 L CB -0.666 41.469 42.059 0.126 0.000 0.892 234 L HN -0.055 nan 8.230 nan 0.000 0.431 235 V N -0.273 119.634 119.914 -0.011 0.000 2.453 235 V HA -0.324 3.805 4.120 0.015 0.000 0.252 235 V C 2.565 178.683 176.094 0.040 0.000 1.068 235 V CA 2.379 64.674 62.300 -0.009 0.000 1.070 235 V CB -0.642 31.142 31.823 -0.066 0.000 0.664 235 V HN 0.518 nan 8.190 nan 0.000 0.461 236 T N -0.832 113.727 114.554 0.009 0.000 2.770 236 T HA -0.144 4.215 4.350 0.015 0.000 0.263 236 T C 1.646 176.369 174.700 0.038 0.000 1.039 236 T CA 1.530 63.645 62.100 0.025 0.000 1.142 236 T CB -0.315 68.545 68.868 -0.012 0.000 0.868 236 T HN 0.461 nan 8.240 nan 0.000 0.435 237 D N 1.080 121.484 120.400 0.006 0.000 2.117 237 D HA -0.011 4.638 4.640 0.015 0.000 0.197 237 D C 2.084 178.429 176.300 0.075 0.000 0.987 237 D CA 0.448 54.451 54.000 0.005 0.000 0.829 237 D CB -0.434 40.334 40.800 -0.055 0.000 0.961 237 D HN 0.201 nan 8.370 nan 0.000 0.460 238 L N 0.662 121.959 121.223 0.123 0.000 1.989 238 L HA -0.198 4.150 4.340 0.015 0.000 0.211 238 L C 2.103 179.182 176.870 0.348 0.000 1.071 238 L CA 1.498 56.477 54.840 0.232 0.000 0.749 238 L CB -0.573 41.619 42.059 0.221 0.000 0.890 238 L HN 0.086 nan 8.230 nan 0.000 0.431 239 T N -0.977 113.782 114.554 0.342 0.000 2.849 239 T HA -0.213 4.146 4.350 0.015 0.000 0.270 239 T C 1.954 176.744 174.700 0.151 0.000 1.066 239 T CA 1.586 63.908 62.100 0.370 0.000 1.130 239 T CB -0.192 68.892 68.868 0.360 0.000 0.864 239 T HN 0.225 nan 8.240 nan 0.000 0.481 240 K N 0.782 121.249 120.400 0.112 0.000 2.217 240 K HA 0.054 4.383 4.320 0.015 0.000 0.202 240 K C 2.177 178.799 176.600 0.036 0.000 1.051 240 K CA 0.634 56.950 56.287 0.048 0.000 0.952 240 K CB -0.759 31.757 32.500 0.027 0.000 0.736 240 K HN 0.372 nan 8.250 nan 0.000 0.453 241 V N 0.610 120.564 119.914 0.067 0.000 2.346 241 V HA -0.093 4.036 4.120 0.015 0.000 0.244 241 V C 2.539 178.599 176.094 -0.058 0.000 1.037 241 V CA 1.808 64.108 62.300 0.000 0.000 1.029 241 V CB -0.674 31.142 31.823 -0.011 0.000 0.663 241 V HN 0.619 nan 8.190 nan 0.000 0.454 242 H N 0.037 119.084 119.070 -0.040 0.000 2.353 242 H HA -0.139 4.426 4.556 0.015 0.000 0.300 242 H C 2.504 177.746 175.328 -0.143 0.000 1.090 242 H CA 2.017 58.000 56.048 -0.108 0.000 1.327 242 H CB -0.190 29.462 29.762 -0.184 0.000 1.383 242 H HN 0.376 nan 8.280 nan 0.000 0.508 243 T N 0.147 114.680 114.554 -0.035 0.000 2.684 243 T HA -0.172 4.187 4.350 0.015 0.000 0.267 243 T C 2.159 176.856 174.700 -0.006 0.000 1.036 243 T CA 1.608 63.675 62.100 -0.055 0.000 1.148 243 T CB -0.178 68.654 68.868 -0.059 0.000 0.863 243 T HN 0.319 nan 8.240 nan 0.000 0.436 244 E N -0.302 119.892 120.200 -0.009 0.000 2.072 244 E HA -0.126 4.233 4.350 0.015 0.000 0.191 244 E C 2.520 179.150 176.600 0.049 0.000 0.985 244 E CA 1.067 57.478 56.400 0.017 0.000 0.801 244 E CB -0.699 29.001 29.700 0.000 0.000 0.750 244 E HN 0.716 nan 8.360 nan 0.000 0.452 245 c N -0.385 118.201 118.600 -0.024 0.000 2.440 245 c HA -0.061 4.518 4.570 0.015 0.000 0.278 245 c C 2.884 176.991 174.090 0.029 0.000 1.295 245 c CA 0.544 56.849 56.329 -0.040 0.000 1.738 245 c CB -1.212 41.172 42.510 -0.209 0.000 1.987 245 c HN 0.676 nan 8.230 nan 0.000 0.492 246 c N -0.653 117.958 118.600 0.018 0.000 2.432 246 c HA -0.168 4.410 4.570 0.015 0.000 0.277 246 c C 2.725 176.876 174.090 0.102 0.000 1.249 246 c CA 1.149 57.499 56.329 0.035 0.000 1.725 246 c CB -1.810 40.694 42.510 -0.010 0.000 2.028 246 c HN 0.684 nan 8.230 nan 0.000 0.477 247 H N 0.355 119.443 119.070 0.031 0.000 2.492 247 H HA -0.093 4.472 4.556 0.014 0.000 0.296 247 H C 1.871 177.282 175.328 0.138 0.000 1.095 247 H CA 1.640 57.725 56.048 0.061 0.000 1.281 247 H CB -0.248 29.536 29.762 0.036 0.000 1.374 247 H HN 0.610 nan 8.280 nan 0.000 0.545 248 G N 0.664 109.562 108.800 0.162 0.000 2.176 248 G HA2 -0.222 3.747 3.960 0.015 0.000 0.232 248 G HA3 -0.222 3.747 3.960 0.015 0.000 0.232 248 G C -0.076 174.881 174.900 0.095 0.000 0.986 248 G CA 0.260 45.437 45.100 0.129 0.000 0.643 248 G HN 0.539 nan 8.290 nan 0.000 0.522 249 D N 0.823 121.333 120.400 0.183 0.000 2.336 249 D HA 0.326 4.975 4.640 0.015 0.000 0.249 249 D C 1.639 178.028 176.300 0.148 0.000 1.213 249 D CA -0.482 53.640 54.000 0.205 0.000 0.870 249 D CB 1.116 42.079 40.800 0.272 0.000 1.076 249 D HN 0.070 nan 8.370 nan 0.000 0.483 250 L N 5.699 126.977 121.223 0.093 0.000 2.012 250 L HA -0.170 4.179 4.340 0.015 0.000 0.210 250 L C 2.066 178.963 176.870 0.046 0.000 1.073 250 L CA 1.651 56.522 54.840 0.051 0.000 0.748 250 L CB -0.506 41.514 42.059 -0.065 0.000 0.891 250 L HN 0.555 nan 8.230 nan 0.000 0.431 251 L N -0.730 120.481 121.223 -0.020 0.000 1.994 251 L HA -0.175 4.174 4.340 0.015 0.000 0.208 251 L C 2.648 179.574 176.870 0.094 0.000 1.071 251 L CA 1.440 56.267 54.840 -0.021 0.000 0.745 251 L CB -0.760 41.182 42.059 -0.195 0.000 0.892 251 L HN 0.335 nan 8.230 nan 0.000 0.431 252 E N -0.582 119.715 120.200 0.161 0.000 2.153 252 E HA -0.260 4.099 4.350 0.015 0.000 0.194 252 E C 2.220 178.871 176.600 0.085 0.000 0.988 252 E CA 1.537 58.014 56.400 0.128 0.000 0.811 252 E CB -0.605 29.167 29.700 0.121 0.000 0.746 252 E HN 0.566 nan 8.360 nan 0.000 0.466 253 c N 0.772 119.426 118.600 0.089 0.000 2.446 253 c HA 0.206 4.785 4.570 0.015 0.000 0.279 253 c C 2.809 176.935 174.090 0.061 0.000 1.366 253 c CA 0.837 57.191 56.329 0.042 0.000 1.763 253 c CB -0.762 41.772 42.510 0.040 0.000 1.929 253 c HN 0.415 nan 8.230 nan 0.000 0.509 254 A N 0.446 123.358 122.820 0.153 0.000 1.874 254 A HA -0.038 4.291 4.320 0.015 0.000 0.214 254 A C 1.914 179.567 177.584 0.114 0.000 1.189 254 A CA 1.910 54.067 52.037 0.200 0.000 0.615 254 A CB -0.685 18.407 19.000 0.154 0.000 0.830 254 A HN 0.552 nan 8.150 nan 0.000 0.443 255 D N 0.381 120.832 120.400 0.086 0.000 2.117 255 D HA -0.113 4.536 4.640 0.015 0.000 0.198 255 D C 1.336 177.673 176.300 0.061 0.000 0.982 255 D CA 1.289 55.334 54.000 0.075 0.000 0.828 255 D CB -0.385 40.463 40.800 0.080 0.000 0.967 255 D HN 0.327 nan 8.370 nan 0.000 0.464 256 D N 0.342 120.769 120.400 0.046 0.000 2.123 256 D HA -0.114 4.534 4.640 0.015 0.000 0.196 256 D C 2.143 178.455 176.300 0.020 0.000 0.992 256 D CA 0.791 54.806 54.000 0.026 0.000 0.833 256 D CB -0.090 40.715 40.800 0.007 0.000 0.954 256 D HN 0.226 nan 8.370 nan 0.000 0.455 257 R N 0.460 120.963 120.500 0.007 0.000 2.115 257 R HA 0.081 4.430 4.340 0.015 0.000 0.226 257 R C 2.271 178.598 176.300 0.045 0.000 1.100 257 R CA 0.948 57.048 56.100 -0.000 0.000 0.980 257 R CB -0.155 30.111 30.300 -0.056 0.000 0.875 257 R HN 0.080 nan 8.270 nan 0.000 0.445 258 A N 1.661 124.519 122.820 0.063 0.000 1.877 258 A HA -0.197 4.132 4.320 0.015 0.000 0.216 258 A C 1.556 179.182 177.584 0.071 0.000 1.186 258 A CA 1.682 53.761 52.037 0.070 0.000 0.620 258 A CB -0.383 18.660 19.000 0.071 0.000 0.822 258 A HN 0.134 nan 8.150 nan 0.000 0.443 259 D N -0.315 120.127 120.400 0.069 0.000 2.088 259 D HA -0.162 4.487 4.640 0.015 0.000 0.191 259 D C 1.861 178.220 176.300 0.099 0.000 0.992 259 D CA 1.623 55.669 54.000 0.077 0.000 0.831 259 D CB -0.628 40.207 40.800 0.058 0.000 0.973 259 D HN 0.303 nan 8.370 nan 0.000 0.447 260 L N 0.800 122.073 121.223 0.083 0.000 2.189 260 L HA -0.128 4.221 4.340 0.015 0.000 0.214 260 L C 1.996 178.953 176.870 0.144 0.000 1.097 260 L CA 1.633 56.542 54.840 0.115 0.000 0.764 260 L CB -0.690 41.416 42.059 0.080 0.000 0.900 260 L HN -0.018 nan 8.230 nan 0.000 0.436 261 A N 0.151 123.031 122.820 0.099 0.000 1.897 261 A HA -0.212 4.116 4.320 0.015 0.000 0.215 261 A C 2.346 179.971 177.584 0.068 0.000 1.181 261 A CA 1.706 53.789 52.037 0.077 0.000 0.620 261 A CB -0.568 18.469 19.000 0.062 0.000 0.821 261 A HN 0.638 nan 8.150 nan 0.000 0.443 262 K N -1.777 118.671 120.400 0.080 0.000 2.057 262 K HA -0.206 4.123 4.320 0.015 0.000 0.206 262 K C 2.007 178.641 176.600 0.056 0.000 1.050 262 K CA 1.703 58.026 56.287 0.060 0.000 0.935 262 K CB -0.628 31.915 32.500 0.072 0.000 0.715 262 K HN 0.392 nan 8.250 nan 0.000 0.439 263 Y N 2.072 122.374 120.300 0.003 0.000 2.128 263 Y HA -0.170 4.389 4.550 0.014 0.000 0.284 263 Y C 1.920 177.804 175.900 -0.026 0.000 1.154 263 Y CA 1.695 59.791 58.100 -0.007 0.000 1.149 263 Y CB -0.118 38.342 38.460 -0.000 0.000 0.976 263 Y HN -0.001 nan 8.280 nan 0.000 0.505 264 I N -1.182 119.361 120.570 -0.046 0.000 2.394 264 I HA -0.343 3.836 4.170 0.015 0.000 0.251 264 I C 2.324 178.323 176.117 -0.197 0.000 1.136 264 I CA 1.035 62.243 61.300 -0.153 0.000 1.425 264 I CB -0.568 37.419 38.000 -0.022 0.000 1.079 264 I HN 0.387 nan 8.210 nan 0.000 0.425 265 c N 0.602 119.128 118.600 -0.124 0.000 2.486 265 c HA -0.068 4.511 4.570 0.015 0.000 0.279 265 c C 2.639 176.650 174.090 -0.131 0.000 1.302 265 c CA 0.500 56.767 56.329 -0.103 0.000 1.720 265 c CB -0.732 41.749 42.510 -0.047 0.000 2.030 265 c HN 0.476 nan 8.230 nan 0.000 0.490 266 E N 0.793 120.903 120.200 -0.151 0.000 2.028 266 E HA -0.133 4.225 4.350 0.015 0.000 0.191 266 E C 1.148 177.624 176.600 -0.206 0.000 0.988 266 E CA 0.849 57.160 56.400 -0.149 0.000 0.799 266 E CB -0.315 29.309 29.700 -0.126 0.000 0.755 266 E HN 0.655 nan 8.360 nan 0.000 0.447 267 N N 1.638 120.128 118.700 -0.350 0.000 2.416 267 N HA -0.062 4.686 4.740 0.015 0.000 0.215 267 N C 1.397 176.740 175.510 -0.278 0.000 1.208 267 N CA -0.103 52.739 53.050 -0.346 0.000 0.834 267 N CB 0.256 38.403 38.487 -0.567 0.000 1.072 267 N HN 0.266 nan 8.380 nan 0.000 0.472 268 Q N 1.266 120.930 119.800 -0.226 0.000 2.096 268 Q HA -0.214 4.135 4.340 0.015 0.000 0.208 268 Q C 0.581 176.478 176.000 -0.173 0.000 0.993 268 Q CA 1.650 57.333 55.803 -0.199 0.000 0.862 268 Q CB 0.118 28.770 28.738 -0.143 0.000 0.915 268 Q HN 0.248 nan 8.270 nan 0.000 0.416 269 D N -0.456 119.866 120.400 -0.130 0.000 2.309 269 D HA -0.072 4.577 4.640 0.015 0.000 0.212 269 D C 1.420 177.662 176.300 -0.097 0.000 0.968 269 D CA 0.706 54.647 54.000 -0.097 0.000 0.882 269 D CB -0.016 40.742 40.800 -0.071 0.000 0.918 269 D HN 0.105 nan 8.370 nan 0.000 0.503 270 S N -1.082 114.544 115.700 -0.124 0.000 2.575 270 S HA 0.182 4.661 4.470 0.015 0.000 0.215 270 S C 1.496 176.021 174.600 -0.127 0.000 0.966 270 S CA -0.139 57.999 58.200 -0.103 0.000 0.911 270 S CB 0.272 63.411 63.200 -0.102 0.000 0.780 270 S HN 0.145 nan 8.310 nan 0.000 0.514 271 I N -1.393 119.053 120.570 -0.207 0.000 3.669 271 I HA 0.329 4.507 4.170 0.015 0.000 0.255 271 I C 0.509 176.421 176.117 -0.343 0.000 1.144 271 I CA -0.116 60.983 61.300 -0.336 0.000 1.447 271 I CB 0.532 38.178 38.000 -0.590 0.000 1.622 271 I HN 0.110 nan 8.210 nan 0.000 0.435 272 S N -0.532 114.971 115.700 -0.329 0.000 2.556 272 S HA 0.313 4.792 4.470 0.015 0.000 0.271 272 S C 0.440 174.980 174.600 -0.100 0.000 1.135 272 S CA -0.055 58.046 58.200 -0.164 0.000 0.858 272 S CB 1.642 64.760 63.200 -0.137 0.000 1.114 272 S HN 0.282 nan 8.310 nan 0.000 0.468 273 S N 1.954 117.631 115.700 -0.039 0.000 2.501 273 S HA 0.161 4.640 4.470 0.015 0.000 0.220 273 S C 0.695 175.283 174.600 -0.020 0.000 0.997 273 S CA 0.026 58.207 58.200 -0.032 0.000 0.919 273 S CB -0.196 62.992 63.200 -0.019 0.000 0.778 273 S HN 0.641 nan 8.310 nan 0.000 0.523 274 K N 1.361 121.760 120.400 -0.002 0.000 2.520 274 K HA 0.315 4.644 4.320 0.015 0.000 0.205 274 K C 0.402 177.007 176.600 0.009 0.000 1.035 274 K CA 0.019 56.313 56.287 0.011 0.000 1.188 274 K CB -0.131 32.389 32.500 0.033 0.000 0.894 274 K HN 0.461 nan 8.250 nan 0.000 0.497 275 L N 0.235 121.446 121.223 -0.020 0.000 2.667 275 L HA 0.061 4.409 4.340 0.015 0.000 0.232 275 L C 2.369 179.224 176.870 -0.026 0.000 1.138 275 L CA -0.064 54.760 54.840 -0.028 0.000 0.921 275 L CB -0.476 41.534 42.059 -0.081 0.000 1.180 275 L HN 0.084 nan 8.230 nan 0.000 0.487 276 K N 1.070 121.459 120.400 -0.020 0.000 1.971 276 K HA -0.229 4.100 4.320 0.015 0.000 0.221 276 K C 2.222 178.819 176.600 -0.006 0.000 1.050 276 K CA 2.264 58.541 56.287 -0.016 0.000 0.967 276 K CB -1.385 31.108 32.500 -0.011 0.000 0.733 276 K HN 0.397 nan 8.250 nan 0.000 0.445 277 E N 0.289 120.490 120.200 0.002 0.000 2.048 277 E HA -0.248 4.111 4.350 0.015 0.000 0.202 277 E C 2.411 179.020 176.600 0.014 0.000 1.021 277 E CA 2.007 58.414 56.400 0.011 0.000 0.825 277 E CB -1.662 28.049 29.700 0.017 0.000 0.756 277 E HN 0.725 nan 8.360 nan 0.000 0.454 278 c N -0.301 118.308 118.600 0.014 0.000 2.396 278 c HA -0.176 4.403 4.570 0.015 0.000 0.277 278 c C 2.834 176.932 174.090 0.014 0.000 1.231 278 c CA 0.952 57.292 56.329 0.018 0.000 1.775 278 c CB -1.265 41.254 42.510 0.015 0.000 2.036 278 c HN 0.808 nan 8.230 nan 0.000 0.484 279 c N 0.249 118.849 118.600 0.001 0.000 2.562 279 c HA 0.142 4.721 4.570 0.015 0.000 0.266 279 c C 2.644 176.735 174.090 0.001 0.000 1.382 279 c CA 1.229 57.556 56.329 -0.004 0.000 1.742 279 c CB -1.708 40.788 42.510 -0.024 0.000 1.812 279 c HN 0.810 nan 8.230 nan 0.000 0.559 280 E N 0.547 120.751 120.200 0.007 0.000 2.460 280 E HA 0.086 4.445 4.350 0.015 0.000 0.200 280 E C 0.762 177.373 176.600 0.017 0.000 1.011 280 E CA 0.107 56.513 56.400 0.010 0.000 0.912 280 E CB -0.029 29.677 29.700 0.009 0.000 0.953 280 E HN 0.666 nan 8.360 nan 0.000 0.494 281 K N 1.309 121.723 120.400 0.023 0.000 2.180 281 K HA 0.271 4.600 4.320 0.015 0.000 0.251 281 K C -2.217 174.401 176.600 0.030 0.000 1.014 281 K CA -1.552 54.753 56.287 0.031 0.000 0.913 281 K CB 0.692 33.217 32.500 0.042 0.000 1.008 281 K HN 0.187 nan 8.250 nan 0.000 0.490 282 P HA -0.049 nan 4.420 nan 0.000 0.272 282 P C 0.751 178.069 177.300 0.030 0.000 1.240 282 P CA -0.304 62.812 63.100 0.027 0.000 0.791 282 P CB 0.478 32.192 31.700 0.024 0.000 0.978 283 L N 2.465 123.702 121.223 0.024 0.000 2.011 283 L HA -0.234 4.115 4.340 0.015 0.000 0.225 283 L C 2.145 179.038 176.870 0.038 0.000 1.084 283 L CA 2.126 56.982 54.840 0.027 0.000 0.791 283 L CB -1.700 40.365 42.059 0.011 0.000 0.898 283 L HN 0.334 nan 8.230 nan 0.000 0.440 284 L N -1.034 120.208 121.223 0.032 0.000 2.549 284 L HA -0.136 4.213 4.340 0.015 0.000 0.230 284 L C 1.928 178.830 176.870 0.054 0.000 1.162 284 L CA 1.667 56.529 54.840 0.038 0.000 0.834 284 L CB -0.378 41.694 42.059 0.021 0.000 0.947 284 L HN 0.529 nan 8.230 nan 0.000 0.452 285 E N -1.849 118.385 120.200 0.057 0.000 2.453 285 E HA -0.020 4.339 4.350 0.015 0.000 0.211 285 E C 1.743 178.388 176.600 0.073 0.000 0.897 285 E CA -0.142 56.297 56.400 0.065 0.000 1.063 285 E CB 0.257 29.999 29.700 0.069 0.000 1.080 285 E HN 0.321 nan 8.360 nan 0.000 0.512 286 K N 0.961 121.397 120.400 0.060 0.000 2.032 286 K HA -0.205 4.124 4.320 0.015 0.000 0.218 286 K C 2.192 178.824 176.600 0.053 0.000 1.054 286 K CA 2.048 58.366 56.287 0.051 0.000 0.941 286 K CB -0.143 32.383 32.500 0.044 0.000 0.720 286 K HN -0.034 nan 8.250 nan 0.000 0.449 287 S N 0.004 115.744 115.700 0.066 0.000 2.359 287 S HA -0.256 4.223 4.470 0.015 0.000 0.222 287 S C 1.866 176.485 174.600 0.031 0.000 1.038 287 S CA 1.871 60.104 58.200 0.054 0.000 1.051 287 S CB -0.673 62.567 63.200 0.067 0.000 0.944 287 S HN 0.436 nan 8.310 nan 0.000 0.433 288 H N 0.392 119.432 119.070 -0.049 0.000 2.319 288 H HA -0.148 4.417 4.556 0.015 0.000 0.297 288 H C 2.490 177.738 175.328 -0.134 0.000 1.097 288 H CA 1.891 57.856 56.048 -0.138 0.000 1.285 288 H CB -0.834 28.763 29.762 -0.274 0.000 1.368 288 H HN 0.441 nan 8.280 nan 0.000 0.495 289 c N 0.057 118.638 118.600 -0.031 0.000 2.413 289 c HA -0.156 4.423 4.570 0.015 0.000 0.278 289 c C 2.847 176.898 174.090 -0.066 0.000 1.224 289 c CA 1.351 57.653 56.329 -0.044 0.000 1.732 289 c CB -1.342 41.183 42.510 0.025 0.000 2.050 289 c HN 0.698 nan 8.230 nan 0.000 0.463 290 I N 1.460 122.018 120.570 -0.019 0.000 2.208 290 I HA -0.214 3.964 4.170 0.015 0.000 0.245 290 I C 2.852 178.969 176.117 0.001 0.000 1.097 290 I CA 1.787 63.101 61.300 0.022 0.000 1.363 290 I CB -0.891 37.144 38.000 0.057 0.000 1.051 290 I HN 0.441 nan 8.210 nan 0.000 0.413 291 A N 0.335 123.119 122.820 -0.060 0.000 1.908 291 A HA -0.215 4.114 4.320 0.015 0.000 0.218 291 A C 2.252 179.757 177.584 -0.131 0.000 1.181 291 A CA 2.134 54.119 52.037 -0.087 0.000 0.627 291 A CB -0.630 18.294 19.000 -0.126 0.000 0.818 291 A HN 0.363 nan 8.150 nan 0.000 0.445 292 E N -1.204 118.875 120.200 -0.202 0.000 2.489 292 E HA 0.207 4.566 4.350 0.015 0.000 0.193 292 E C 0.564 177.108 176.600 -0.094 0.000 1.057 292 E CA 0.215 56.508 56.400 -0.180 0.000 0.866 292 E CB -0.324 29.213 29.700 -0.272 0.000 0.916 292 E HN 0.403 nan 8.360 nan 0.000 0.500 293 V N 1.441 121.321 119.914 -0.056 0.000 3.209 293 V HA -0.016 4.113 4.120 0.015 0.000 0.305 293 V C 0.637 176.722 176.094 -0.014 0.000 1.127 293 V CA 0.667 62.964 62.300 -0.005 0.000 1.235 293 V CB 1.313 33.175 31.823 0.065 0.000 0.987 293 V HN 0.413 nan 8.190 nan 0.000 0.499 294 E N 3.236 123.439 120.200 0.004 0.000 2.314 294 E HA 0.259 4.618 4.350 0.015 0.000 0.262 294 E C -0.141 176.457 176.600 -0.003 0.000 1.093 294 E CA -0.815 55.580 56.400 -0.009 0.000 0.908 294 E CB 0.670 30.370 29.700 -0.000 0.000 1.091 294 E HN 0.811 nan 8.360 nan 0.000 0.425 295 N N 1.476 120.158 118.700 -0.031 0.000 2.416 295 N HA 0.015 4.764 4.740 0.015 0.000 0.246 295 N C -0.855 174.657 175.510 0.004 0.000 1.260 295 N CA 0.185 53.214 53.050 -0.036 0.000 0.897 295 N CB 0.460 38.908 38.487 -0.064 0.000 1.110 295 N HN 0.387 nan 8.380 nan 0.000 0.439 296 D N -0.078 120.337 120.400 0.025 0.000 2.217 296 D HA 0.134 4.782 4.640 0.015 0.000 0.248 296 D C -0.602 175.693 176.300 -0.007 0.000 1.008 296 D CA -0.448 53.570 54.000 0.030 0.000 0.914 296 D CB 0.915 41.759 40.800 0.074 0.000 1.182 296 D HN 0.314 nan 8.370 nan 0.000 0.451 297 E N 1.317 121.508 120.200 -0.014 0.000 2.384 297 E HA 0.111 4.470 4.350 0.015 0.000 0.266 297 E C 0.096 176.672 176.600 -0.041 0.000 1.012 297 E CA -0.266 56.114 56.400 -0.033 0.000 0.901 297 E CB 0.578 30.260 29.700 -0.029 0.000 0.967 297 E HN 0.428 nan 8.360 nan 0.000 0.435 298 M N 3.535 123.095 119.600 -0.066 0.000 2.216 298 M HA 0.305 4.794 4.480 0.015 0.000 0.356 298 M C -2.018 174.238 176.300 -0.073 0.000 1.205 298 M CA -1.568 53.683 55.300 -0.082 0.000 1.122 298 M CB 0.967 33.489 32.600 -0.129 0.000 1.571 298 M HN 0.188 nan 8.290 nan 0.000 0.464 299 P HA -0.321 nan 4.420 nan 0.000 0.225 299 P C 1.005 178.273 177.300 -0.054 0.000 1.154 299 P CA 3.350 66.421 63.100 -0.048 0.000 0.885 299 P CB -0.126 31.548 31.700 -0.043 0.000 0.785 300 A N -2.890 119.885 122.820 -0.074 0.000 4.115 300 A HA -0.362 3.967 4.320 0.015 0.000 0.268 300 A C 1.393 178.942 177.584 -0.058 0.000 0.917 300 A CA 2.414 54.408 52.037 -0.073 0.000 1.090 300 A CB -2.687 16.277 19.000 -0.060 0.000 1.067 300 A HN 0.453 nan 8.150 nan 0.000 0.828 301 D N -0.134 120.238 120.400 -0.047 0.000 2.395 301 D HA 0.569 5.218 4.640 0.015 0.000 0.226 301 D C 0.313 176.592 176.300 -0.036 0.000 1.146 301 D CA 0.453 54.432 54.000 -0.034 0.000 0.830 301 D CB -0.200 40.587 40.800 -0.022 0.000 0.958 301 D HN 0.636 nan 8.370 nan 0.000 0.501 302 L N 0.618 121.808 121.223 -0.056 0.000 2.319 302 L HA 0.297 4.646 4.340 0.015 0.000 0.280 302 L C -1.000 175.839 176.870 -0.052 0.000 1.099 302 L CA -1.184 53.618 54.840 -0.063 0.000 0.828 302 L CB 1.217 43.211 42.059 -0.108 0.000 1.150 302 L HN 0.167 nan 8.230 nan 0.000 0.442 303 P HA 0.011 nan 4.420 nan 0.000 0.210 303 P C -0.247 177.041 177.300 -0.019 0.000 1.141 303 P CA 0.035 63.127 63.100 -0.014 0.000 0.757 303 P CB 0.278 31.981 31.700 0.006 0.000 0.567 304 S N -3.306 112.399 115.700 0.009 0.000 2.588 304 S HA 0.354 4.832 4.470 0.015 0.000 0.269 304 S C 0.203 174.862 174.600 0.099 0.000 1.157 304 S CA -0.712 57.504 58.200 0.026 0.000 0.824 304 S CB 0.105 63.334 63.200 0.047 0.000 1.126 304 S HN 0.076 nan 8.310 nan 0.000 0.464 305 L N 2.048 123.366 121.223 0.158 0.000 2.202 305 L HA 0.271 4.620 4.340 0.015 0.000 0.205 305 L C 2.747 179.912 176.870 0.492 0.000 1.083 305 L CA 1.093 56.153 54.840 0.367 0.000 0.790 305 L CB -0.655 41.547 42.059 0.238 0.000 0.942 305 L HN 0.864 nan 8.230 nan 0.000 0.452 306 A N 0.311 123.388 122.820 0.429 0.000 2.131 306 A HA -0.170 4.159 4.320 0.015 0.000 0.220 306 A C 2.403 180.000 177.584 0.022 0.000 1.158 306 A CA 1.677 53.738 52.037 0.041 0.000 0.665 306 A CB -0.471 18.564 19.000 0.058 0.000 0.795 306 A HN 0.424 nan 8.150 nan 0.000 0.460 307 A N -0.465 122.405 122.820 0.084 0.000 1.855 307 A HA -0.077 4.252 4.320 0.015 0.000 0.213 307 A C 1.752 179.329 177.584 -0.011 0.000 1.195 307 A CA 1.546 53.603 52.037 0.032 0.000 0.610 307 A CB -0.288 18.731 19.000 0.032 0.000 0.837 307 A HN 0.389 nan 8.150 nan 0.000 0.444 308 D N -2.011 118.354 120.400 -0.059 0.000 2.350 308 D HA 0.144 4.793 4.640 0.015 0.000 0.213 308 D C 0.415 176.377 176.300 -0.564 0.000 1.031 308 D CA 0.606 54.415 54.000 -0.318 0.000 0.861 308 D CB 0.177 40.678 40.800 -0.497 0.000 0.926 308 D HN 0.465 nan 8.370 nan 0.000 0.520 309 F N -1.010 119.010 119.950 0.117 0.000 2.784 309 F HA 0.121 4.657 4.527 0.015 0.000 0.323 309 F C 1.798 177.612 175.800 0.024 0.000 1.085 309 F CA 0.006 58.091 58.000 0.142 0.000 1.196 309 F CB 0.768 39.850 39.000 0.136 0.000 1.053 309 F HN -0.215 nan 8.300 nan 0.000 0.578 310 V N -1.568 118.365 119.914 0.031 0.000 3.473 310 V HA 0.121 4.250 4.120 0.015 0.000 0.253 310 V C 1.282 177.451 176.094 0.126 0.000 1.340 310 V CA 0.513 62.796 62.300 -0.029 0.000 1.103 310 V CB 0.721 32.260 31.823 -0.474 0.000 0.881 310 V HN 0.087 nan 8.190 nan 0.000 0.451 311 E N 0.605 120.840 120.200 0.059 0.000 2.611 311 E HA 0.144 4.503 4.350 0.015 0.000 0.284 311 E C 0.824 177.480 176.600 0.093 0.000 0.800 311 E CA 0.656 57.093 56.400 0.063 0.000 1.264 311 E CB -0.131 29.577 29.700 0.014 0.000 1.735 311 E HN 0.304 nan 8.360 nan 0.000 0.526 312 S N 1.357 117.083 115.700 0.043 0.000 4.641 312 S HA -0.155 4.323 4.470 0.015 0.000 0.556 312 S C -0.053 174.589 174.600 0.069 0.000 0.923 312 S CA 0.469 58.689 58.200 0.033 0.000 1.147 312 S CB -0.919 62.280 63.200 -0.002 0.000 1.458 312 S HN 0.356 nan 8.310 nan 0.000 0.428 313 K N 3.296 123.733 120.400 0.062 0.000 2.286 313 K HA 0.299 4.628 4.320 0.015 0.000 0.256 313 K C 0.781 177.409 176.600 0.047 0.000 0.999 313 K CA 0.321 56.656 56.287 0.080 0.000 0.908 313 K CB -0.241 32.282 32.500 0.040 0.000 0.981 313 K HN 0.896 nan 8.250 nan 0.000 0.500 314 D N -1.283 119.142 120.400 0.041 0.000 3.097 314 D HA -0.153 4.496 4.640 0.015 0.000 0.209 314 D C 0.777 177.045 176.300 -0.054 0.000 1.054 314 D CA 0.974 54.969 54.000 -0.008 0.000 0.974 314 D CB -1.759 39.032 40.800 -0.015 0.000 1.073 314 D HN 0.345 nan 8.370 nan 0.000 0.437 315 V N -0.248 119.649 119.914 -0.029 0.000 2.407 315 V HA -0.180 3.949 4.120 0.015 0.000 0.245 315 V C 2.375 178.308 176.094 -0.268 0.000 1.041 315 V CA 2.067 64.288 62.300 -0.132 0.000 1.040 315 V CB 0.043 31.825 31.823 -0.068 0.000 0.671 315 V HN 0.568 nan 8.190 nan 0.000 0.455 316 c N 0.385 118.932 118.600 -0.089 0.000 2.432 316 c HA -0.020 4.559 4.570 0.015 0.000 0.280 316 c C 3.026 177.069 174.090 -0.079 0.000 1.353 316 c CA 1.297 57.613 56.329 -0.022 0.000 1.766 316 c CB -1.252 41.301 42.510 0.071 0.000 1.924 316 c HN 0.708 nan 8.230 nan 0.000 0.509 317 K N 1.062 121.403 120.400 -0.098 0.000 2.001 317 K HA -0.136 4.193 4.320 0.015 0.000 0.208 317 K C 1.531 178.033 176.600 -0.164 0.000 1.048 317 K CA 1.984 58.210 56.287 -0.102 0.000 0.932 317 K CB -1.182 31.277 32.500 -0.067 0.000 0.715 317 K HN 0.684 nan 8.250 nan 0.000 0.437 318 N N -1.013 117.539 118.700 -0.247 0.000 2.309 318 N HA -0.067 4.682 4.740 0.015 0.000 0.182 318 N C 1.744 176.961 175.510 -0.487 0.000 1.018 318 N CA 1.197 54.057 53.050 -0.317 0.000 0.876 318 N CB -0.161 38.135 38.487 -0.318 0.000 0.972 318 N HN 0.554 nan 8.380 nan 0.000 0.434 319 Y N 1.336 121.127 120.300 -0.848 0.000 2.153 319 Y HA 0.073 4.632 4.550 0.016 0.000 0.289 319 Y C 2.172 177.921 175.900 -0.252 0.000 1.127 319 Y CA 1.170 58.855 58.100 -0.693 0.000 1.131 319 Y CB -0.780 37.326 38.460 -0.590 0.000 0.995 319 Y HN 0.022 nan 8.280 nan 0.000 0.505 320 A N 0.193 122.787 122.820 -0.377 0.000 2.015 320 A HA -0.190 4.139 4.320 0.015 0.000 0.219 320 A C 2.176 179.623 177.584 -0.229 0.000 1.163 320 A CA 1.647 53.459 52.037 -0.375 0.000 0.646 320 A CB -0.904 17.959 19.000 -0.228 0.000 0.806 320 A HN 0.653 nan 8.150 nan 0.000 0.448 321 E N -0.128 119.974 120.200 -0.162 0.000 2.085 321 E HA 0.011 4.369 4.350 0.015 0.000 0.194 321 E C 0.516 177.081 176.600 -0.058 0.000 0.994 321 E CA 1.417 57.763 56.400 -0.090 0.000 0.801 321 E CB -0.144 29.517 29.700 -0.065 0.000 0.743 321 E HN 0.534 nan 8.360 nan 0.000 0.453 322 A N -0.138 122.657 122.820 -0.042 0.000 2.771 322 A HA 0.230 4.559 4.320 0.015 0.000 0.301 322 A C 0.198 177.836 177.584 0.091 0.000 1.194 322 A CA -0.598 51.455 52.037 0.026 0.000 0.837 322 A CB 0.577 19.625 19.000 0.080 0.000 1.438 322 A HN 0.098 nan 8.150 nan 0.000 0.436 323 K N 0.434 120.830 120.400 -0.007 0.000 2.032 323 K HA -0.226 4.102 4.320 0.015 0.000 0.218 323 K C 0.711 177.520 176.600 0.348 0.000 1.054 323 K CA 2.234 58.576 56.287 0.090 0.000 0.941 323 K CB 0.003 32.443 32.500 -0.100 0.000 0.720 323 K HN 0.651 nan 8.250 nan 0.000 0.449 324 D N 0.357 120.899 120.400 0.236 0.000 2.144 324 D HA -0.088 4.561 4.640 0.015 0.000 0.200 324 D C 2.016 178.488 176.300 0.288 0.000 0.978 324 D CA 0.768 54.918 54.000 0.250 0.000 0.833 324 D CB -0.214 40.695 40.800 0.182 0.000 0.961 324 D HN -0.030 nan 8.370 nan 0.000 0.470 325 V N 0.858 120.942 119.914 0.283 0.000 2.515 325 V HA -0.195 3.933 4.120 0.015 0.000 0.250 325 V C 2.080 178.340 176.094 0.276 0.000 1.058 325 V CA 0.967 63.452 62.300 0.308 0.000 1.064 325 V CB -0.524 31.459 31.823 0.266 0.000 0.675 325 V HN 0.055 nan 8.190 nan 0.000 0.461 326 F N 0.571 120.637 119.950 0.194 0.000 2.084 326 F HA -0.105 4.430 4.527 0.013 0.000 0.296 326 F C 2.051 178.034 175.800 0.306 0.000 1.111 326 F CA 1.542 59.686 58.000 0.240 0.000 1.224 326 F CB -0.356 38.840 39.000 0.326 0.000 0.991 326 F HN 0.004 nan 8.300 nan 0.000 0.471 327 L N -0.193 121.240 121.223 0.352 0.000 2.079 327 L HA -0.169 4.180 4.340 0.015 0.000 0.210 327 L C 2.734 179.742 176.870 0.230 0.000 1.081 327 L CA 1.412 56.405 54.840 0.255 0.000 0.752 327 L CB -1.462 40.765 42.059 0.280 0.000 0.896 327 L HN 0.346 nan 8.230 nan 0.000 0.433 328 G N -0.822 108.135 108.800 0.261 0.000 2.432 328 G HA2 -0.287 3.682 3.960 0.015 0.000 0.219 328 G HA3 -0.287 3.682 3.960 0.015 0.000 0.219 328 G C 1.630 176.732 174.900 0.337 0.000 1.135 328 G CA 0.584 45.894 45.100 0.350 0.000 0.767 328 G HN 0.213 nan 8.290 nan 0.000 0.550 329 M N -0.874 118.710 119.600 -0.027 0.000 2.229 329 M HA 0.136 4.625 4.480 0.015 0.000 0.264 329 M C 2.109 178.403 176.300 -0.010 0.000 1.063 329 M CA 0.872 56.016 55.300 -0.259 0.000 1.114 329 M CB -0.116 32.296 32.600 -0.314 0.000 1.387 329 M HN 0.272 nan 8.290 nan 0.000 0.420 330 F N 0.540 120.301 119.950 -0.316 0.000 2.113 330 F HA -0.185 4.350 4.527 0.013 0.000 0.297 330 F C 1.688 177.314 175.800 -0.290 0.000 1.103 330 F CA 1.561 59.158 58.000 -0.673 0.000 1.248 330 F CB -0.310 38.325 39.000 -0.608 0.000 0.999 330 F HN -0.017 nan 8.300 nan 0.000 0.475 331 L N -0.886 120.293 121.223 -0.073 0.000 1.948 331 L HA -0.281 4.068 4.340 0.015 0.000 0.212 331 L C 2.517 179.349 176.870 -0.064 0.000 1.074 331 L CA 2.111 56.888 54.840 -0.105 0.000 0.753 331 L CB -1.303 40.776 42.059 0.033 0.000 0.888 331 L HN 0.275 nan 8.230 nan 0.000 0.432 332 Y N 0.924 121.226 120.300 0.004 0.000 2.173 332 Y HA -0.335 4.223 4.550 0.014 0.000 0.282 332 Y C 2.504 178.382 175.900 -0.038 0.000 1.192 332 Y CA 1.931 60.067 58.100 0.060 0.000 1.176 332 Y CB -0.120 38.557 38.460 0.362 0.000 0.969 332 Y HN 0.227 nan 8.280 nan 0.000 0.519 333 E N -0.839 119.253 120.200 -0.180 0.000 2.033 333 E HA -0.193 4.166 4.350 0.015 0.000 0.189 333 E C 2.069 178.431 176.600 -0.398 0.000 0.979 333 E CA 1.332 57.530 56.400 -0.336 0.000 0.802 333 E CB -0.994 28.605 29.700 -0.167 0.000 0.763 333 E HN 0.594 nan 8.360 nan 0.000 0.449 334 Y N 1.414 121.354 120.300 -0.600 0.000 2.242 334 Y HA -0.117 4.443 4.550 0.015 0.000 0.291 334 Y C 2.189 177.866 175.900 -0.372 0.000 1.137 334 Y CA 0.880 58.645 58.100 -0.558 0.000 1.181 334 Y CB -0.489 37.453 38.460 -0.864 0.000 0.989 334 Y HN 0.017 nan 8.280 nan 0.000 0.527 335 A N 1.176 123.911 122.820 -0.142 0.000 1.834 335 A HA -0.253 4.076 4.320 0.015 0.000 0.216 335 A C 2.277 179.738 177.584 -0.205 0.000 1.203 335 A CA 2.256 54.202 52.037 -0.152 0.000 0.621 335 A CB -0.957 17.939 19.000 -0.173 0.000 0.841 335 A HN 0.554 nan 8.150 nan 0.000 0.446 336 R N -0.569 119.759 120.500 -0.287 0.000 2.316 336 R HA -0.092 4.257 4.340 0.015 0.000 0.232 336 R C 1.621 177.733 176.300 -0.312 0.000 1.137 336 R CA 1.751 57.670 56.100 -0.302 0.000 1.012 336 R CB -0.350 29.715 30.300 -0.393 0.000 0.859 336 R HN 0.471 nan 8.270 nan 0.000 0.474 337 R N -0.498 119.778 120.500 -0.372 0.000 2.312 337 R HA 0.139 4.488 4.340 0.015 0.000 0.205 337 R C -0.093 175.769 176.300 -0.730 0.000 0.904 337 R CA 0.168 55.957 56.100 -0.519 0.000 1.052 337 R CB 0.497 30.428 30.300 -0.616 0.000 1.014 337 R HN 0.298 nan 8.270 nan 0.000 0.503 338 H N -0.401 118.461 119.070 -0.347 0.000 2.429 338 H HA 0.189 4.755 4.556 0.017 0.000 0.231 338 H C -2.191 172.929 175.328 -0.346 0.000 1.416 338 H CA -2.085 53.670 56.048 -0.488 0.000 1.443 338 H CB 1.522 30.743 29.762 -0.901 0.000 1.591 338 H HN -0.026 nan 8.280 nan 0.000 0.507 339 P HA -0.045 nan 4.420 nan 0.000 0.242 339 P C 0.985 178.237 177.300 -0.081 0.000 1.197 339 P CA 0.697 63.721 63.100 -0.126 0.000 0.765 339 P CB 0.300 31.923 31.700 -0.127 0.000 0.936 340 D N -2.451 117.906 120.400 -0.072 0.000 2.325 340 D HA -0.041 4.608 4.640 0.015 0.000 0.225 340 D C -0.172 176.221 176.300 0.155 0.000 1.096 340 D CA -0.078 53.923 54.000 0.001 0.000 0.844 340 D CB -0.131 40.669 40.800 0.000 0.000 0.925 340 D HN 0.082 nan 8.370 nan 0.000 0.513 341 Y N 1.516 121.769 120.300 -0.079 0.000 2.487 341 Y HA 0.310 4.872 4.550 0.019 0.000 0.337 341 Y C 0.745 176.561 175.900 -0.139 0.000 1.076 341 Y CA -2.438 55.583 58.100 -0.132 0.000 1.115 341 Y CB 1.860 40.213 38.460 -0.177 0.000 1.235 341 Y HN -0.129 nan 8.280 nan 0.000 0.468 342 S N -0.040 115.656 115.700 -0.006 0.000 2.584 342 S HA 0.271 4.749 4.470 0.015 0.000 0.273 342 S C 1.002 175.549 174.600 -0.088 0.000 1.311 342 S CA -0.761 57.404 58.200 -0.059 0.000 1.034 342 S CB 1.370 64.528 63.200 -0.069 0.000 0.939 342 S HN 0.413 nan 8.310 nan 0.000 0.513 343 V N 2.417 122.264 119.914 -0.112 0.000 2.453 343 V HA -0.158 3.971 4.120 0.015 0.000 0.252 343 V C 2.353 178.384 176.094 -0.105 0.000 1.068 343 V CA 1.912 64.108 62.300 -0.172 0.000 1.070 343 V CB -0.729 30.907 31.823 -0.311 0.000 0.664 343 V HN 0.826 nan 8.190 nan 0.000 0.461 344 V N -0.270 119.616 119.914 -0.047 0.000 2.515 344 V HA -0.169 3.960 4.120 0.015 0.000 0.250 344 V C 2.232 178.244 176.094 -0.136 0.000 1.058 344 V CA 2.163 64.429 62.300 -0.056 0.000 1.064 344 V CB 0.044 31.846 31.823 -0.037 0.000 0.675 344 V HN 0.547 nan 8.190 nan 0.000 0.461 345 L N -0.284 120.828 121.223 -0.185 0.000 2.093 345 L HA -0.053 4.296 4.340 0.015 0.000 0.208 345 L C 2.125 178.782 176.870 -0.356 0.000 1.085 345 L CA 2.011 56.672 54.840 -0.297 0.000 0.755 345 L CB -0.561 41.246 42.059 -0.419 0.000 0.904 345 L HN 0.298 nan 8.230 nan 0.000 0.435 346 L N -1.207 119.843 121.223 -0.289 0.000 2.027 346 L HA -0.210 4.138 4.340 0.015 0.000 0.206 346 L C 2.515 179.213 176.870 -0.287 0.000 1.074 346 L CA 1.222 55.863 54.840 -0.331 0.000 0.745 346 L CB -0.538 41.382 42.059 -0.231 0.000 0.898 346 L HN 0.285 nan 8.230 nan 0.000 0.433 347 L N -0.701 120.410 121.223 -0.187 0.000 2.083 347 L HA -0.228 4.121 4.340 0.015 0.000 0.209 347 L C 2.727 179.517 176.870 -0.132 0.000 1.083 347 L CA 1.183 55.953 54.840 -0.118 0.000 0.752 347 L CB -0.523 41.495 42.059 -0.068 0.000 0.899 347 L HN 0.243 nan 8.230 nan 0.000 0.433 348 R N -0.030 120.363 120.500 -0.178 0.000 2.152 348 R HA -0.110 4.239 4.340 0.015 0.000 0.232 348 R C 2.189 178.357 176.300 -0.220 0.000 1.117 348 R CA 1.015 57.011 56.100 -0.174 0.000 0.981 348 R CB -0.009 30.176 30.300 -0.191 0.000 0.870 348 R HN 0.365 nan 8.270 nan 0.000 0.451 349 L N -1.249 119.758 121.223 -0.361 0.000 2.168 349 L HA 0.074 4.422 4.340 0.015 0.000 0.203 349 L C 2.485 179.209 176.870 -0.243 0.000 1.078 349 L CA 0.700 55.193 54.840 -0.578 0.000 0.780 349 L CB -0.384 41.012 42.059 -1.105 0.000 0.939 349 L HN 0.166 nan 8.230 nan 0.000 0.451 350 A N 0.507 123.292 122.820 -0.058 0.000 1.972 350 A HA -0.244 4.085 4.320 0.015 0.000 0.219 350 A C 2.279 179.918 177.584 0.091 0.000 1.169 350 A CA 1.976 54.115 52.037 0.170 0.000 0.635 350 A CB -0.325 18.775 19.000 0.167 0.000 0.810 350 A HN 0.239 nan 8.150 nan 0.000 0.446 351 K N -0.486 119.929 120.400 0.025 0.000 2.057 351 K HA -0.064 4.265 4.320 0.015 0.000 0.206 351 K C 1.962 178.591 176.600 0.047 0.000 1.050 351 K CA 2.193 58.498 56.287 0.029 0.000 0.935 351 K CB -0.833 31.666 32.500 -0.001 0.000 0.715 351 K HN 0.334 nan 8.250 nan 0.000 0.439 352 T N 0.196 114.786 114.554 0.059 0.000 2.708 352 T HA -0.161 4.198 4.350 0.015 0.000 0.266 352 T C 1.329 176.150 174.700 0.203 0.000 1.037 352 T CA 1.580 63.763 62.100 0.138 0.000 1.146 352 T CB -0.582 68.407 68.868 0.202 0.000 0.865 352 T HN 0.268 nan 8.240 nan 0.000 0.435 353 Y N 2.190 122.529 120.300 0.065 0.000 2.070 353 Y HA -0.223 4.333 4.550 0.011 0.000 0.280 353 Y C 2.567 178.378 175.900 -0.148 0.000 1.148 353 Y CA 2.000 60.057 58.100 -0.073 0.000 1.125 353 Y CB -0.804 37.374 38.460 -0.470 0.000 0.975 353 Y HN 0.410 nan 8.280 nan 0.000 0.492 354 E N -1.116 119.004 120.200 -0.134 0.000 2.086 354 E HA -0.278 4.081 4.350 0.015 0.000 0.200 354 E C 2.056 178.593 176.600 -0.104 0.000 1.012 354 E CA 2.437 58.739 56.400 -0.164 0.000 0.812 354 E CB -0.585 29.123 29.700 0.013 0.000 0.743 354 E HN 0.459 nan 8.360 nan 0.000 0.453 355 T N -0.239 114.300 114.554 -0.025 0.000 2.684 355 T HA -0.148 4.211 4.350 0.015 0.000 0.267 355 T C 1.868 176.561 174.700 -0.012 0.000 1.036 355 T CA 1.866 63.970 62.100 0.008 0.000 1.148 355 T CB -0.494 68.396 68.868 0.035 0.000 0.863 355 T HN 0.305 nan 8.240 nan 0.000 0.436 356 T N 2.180 116.714 114.554 -0.033 0.000 2.737 356 T HA 0.073 4.432 4.350 0.015 0.000 0.265 356 T C 1.960 176.609 174.700 -0.086 0.000 1.038 356 T CA 0.722 62.807 62.100 -0.025 0.000 1.144 356 T CB -0.410 68.468 68.868 0.018 0.000 0.866 356 T HN 0.225 nan 8.240 nan 0.000 0.434 357 L N 0.977 122.026 121.223 -0.289 0.000 2.081 357 L HA -0.150 4.198 4.340 0.015 0.000 0.212 357 L C 2.794 179.649 176.870 -0.024 0.000 1.080 357 L CA 1.413 56.046 54.840 -0.345 0.000 0.754 357 L CB -0.521 40.987 42.059 -0.917 0.000 0.893 357 L HN 0.332 nan 8.230 nan 0.000 0.433 358 E N 0.251 120.470 120.200 0.033 0.000 2.107 358 E HA -0.157 4.202 4.350 0.015 0.000 0.191 358 E C 2.094 178.733 176.600 0.066 0.000 0.982 358 E CA 1.447 57.910 56.400 0.104 0.000 0.809 358 E CB -0.026 29.730 29.700 0.094 0.000 0.756 358 E HN 0.458 nan 8.360 nan 0.000 0.459 359 K N 0.180 120.607 120.400 0.046 0.000 2.469 359 K HA 0.159 4.488 4.320 0.015 0.000 0.201 359 K C 1.526 178.157 176.600 0.053 0.000 1.028 359 K CA 0.301 56.615 56.287 0.044 0.000 1.170 359 K CB -0.868 31.654 32.500 0.036 0.000 0.874 359 K HN 0.097 nan 8.250 nan 0.000 0.507 360 c N -2.670 115.975 118.600 0.075 0.000 3.060 360 c HA 0.092 4.670 4.570 0.015 0.000 0.548 360 c C 2.289 176.452 174.090 0.121 0.000 1.317 360 c CA 0.201 56.596 56.329 0.108 0.000 2.592 360 c CB 0.034 42.668 42.510 0.208 0.000 3.519 360 c HN 0.730 nan 8.230 nan 0.000 0.524 361 c N 2.103 120.784 118.600 0.135 0.000 2.460 361 c HA 0.203 4.782 4.570 0.015 0.000 0.291 361 c C 1.787 175.920 174.090 0.071 0.000 1.493 361 c CA 1.141 57.545 56.329 0.125 0.000 1.748 361 c CB -2.029 40.565 42.510 0.140 0.000 1.656 361 c HN 0.667 nan 8.230 nan 0.000 0.576 362 A N -0.297 122.557 122.820 0.057 0.000 3.041 362 A HA 0.749 5.078 4.320 0.015 0.000 0.307 362 A C 0.249 177.846 177.584 0.023 0.000 1.116 362 A CA 0.385 52.442 52.037 0.033 0.000 1.001 362 A CB -0.224 18.794 19.000 0.030 0.000 1.112 362 A HN 0.473 nan 8.150 nan 0.000 0.556 363 A N -1.105 121.727 122.820 0.020 0.000 2.594 363 A HA 0.787 5.116 4.320 0.015 0.000 0.291 363 A C 1.050 178.631 177.584 -0.005 0.000 1.105 363 A CA 0.062 52.102 52.037 0.006 0.000 0.694 363 A CB 0.174 19.176 19.000 0.002 0.000 1.291 363 A HN 1.351 nan 8.150 nan 0.000 0.410 364 A N 0.233 123.046 122.820 -0.012 0.000 1.859 364 A HA -0.110 4.219 4.320 0.015 0.000 0.218 364 A C 0.875 178.442 177.584 -0.028 0.000 1.242 364 A CA 2.542 54.568 52.037 -0.018 0.000 0.661 364 A CB -0.552 18.436 19.000 -0.019 0.000 0.842 364 A HN 0.797 nan 8.150 nan 0.000 0.455 365 D N -1.291 119.083 120.400 -0.044 0.000 2.505 365 D HA 0.417 5.066 4.640 0.015 0.000 0.242 365 D C -1.841 174.391 176.300 -0.114 0.000 1.136 365 D CA -2.153 51.805 54.000 -0.070 0.000 0.954 365 D CB 0.872 41.629 40.800 -0.073 0.000 1.002 365 D HN 0.025 nan 8.370 nan 0.000 0.512 366 P HA -0.190 nan 4.420 nan 0.000 0.213 366 P C 1.568 178.538 177.300 -0.552 0.000 1.170 366 P CA 2.414 65.421 63.100 -0.156 0.000 0.902 366 P CB -0.067 31.651 31.700 0.030 0.000 0.789 367 H N -1.103 117.637 119.070 -0.550 0.000 2.478 367 H HA -0.161 4.404 4.556 0.015 0.000 0.294 367 H C 1.841 176.792 175.328 -0.627 0.000 1.125 367 H CA 2.487 58.088 56.048 -0.744 0.000 1.225 367 H CB -1.665 27.932 29.762 -0.274 0.000 1.360 367 H HN 0.406 nan 8.280 nan 0.000 0.519 368 E N -1.071 118.895 120.200 -0.389 0.000 2.472 368 E HA 0.207 4.566 4.350 0.015 0.000 0.196 368 E C 2.256 178.728 176.600 -0.214 0.000 1.033 368 E CA 0.687 56.941 56.400 -0.244 0.000 0.886 368 E CB -1.046 28.566 29.700 -0.146 0.000 0.944 368 E HN 0.886 nan 8.360 nan 0.000 0.492 369 c N 0.129 118.566 118.600 -0.272 0.000 2.522 369 c HA 0.085 4.664 4.570 0.015 0.000 0.280 369 c C 2.198 176.250 174.090 -0.063 0.000 1.303 369 c CA 1.358 57.608 56.329 -0.132 0.000 1.709 369 c CB -0.850 41.613 42.510 -0.078 0.000 2.071 369 c HN 0.830 nan 8.230 nan 0.000 0.492 370 Y N 0.372 120.656 120.300 -0.026 0.000 2.532 370 Y HA 0.640 5.197 4.550 0.011 0.000 0.283 370 Y C 1.505 177.377 175.900 -0.047 0.000 1.181 370 Y CA -0.041 58.042 58.100 -0.030 0.000 1.256 370 Y CB -1.350 37.091 38.460 -0.032 0.000 1.112 370 Y HN 0.159 nan 8.280 nan 0.000 0.521 371 A N 0.721 123.524 122.820 -0.027 0.000 2.235 371 A HA 0.282 4.611 4.320 0.015 0.000 0.208 371 A C 1.869 179.439 177.584 -0.022 0.000 1.172 371 A CA 0.929 52.952 52.037 -0.023 0.000 0.786 371 A CB -0.724 18.216 19.000 -0.100 0.000 0.804 371 A HN 0.434 nan 8.150 nan 0.000 0.479 372 K N -0.773 119.628 120.400 0.003 0.000 2.438 372 K HA 0.593 4.921 4.320 0.015 0.000 0.205 372 K C 1.221 177.824 176.600 0.005 0.000 1.033 372 K CA 0.532 56.821 56.287 0.002 0.000 1.089 372 K CB -0.840 31.665 32.500 0.008 0.000 0.857 372 K HN 0.147 nan 8.250 nan 0.000 0.522 373 V N 0.320 120.231 119.914 -0.005 0.000 2.220 373 V HA -0.194 3.935 4.120 0.015 0.000 0.246 373 V C 2.100 178.056 176.094 -0.231 0.000 1.049 373 V CA 2.094 64.363 62.300 -0.053 0.000 1.003 373 V CB -0.641 31.193 31.823 0.018 0.000 0.634 373 V HN 0.630 nan 8.190 nan 0.000 0.444 374 F N 0.594 120.224 119.950 -0.534 0.000 2.176 374 F HA -0.234 4.299 4.527 0.010 0.000 0.301 374 F C 2.321 177.963 175.800 -0.263 0.000 1.071 374 F CA 1.602 59.240 58.000 -0.604 0.000 1.289 374 F CB -1.139 37.734 39.000 -0.211 0.000 1.028 374 F HN 0.301 nan 8.300 nan 0.000 0.494 375 D N -0.262 120.173 120.400 0.058 0.000 2.309 375 D HA -0.127 4.522 4.640 0.015 0.000 0.212 375 D C 1.938 178.282 176.300 0.074 0.000 0.968 375 D CA 0.807 54.849 54.000 0.070 0.000 0.882 375 D CB -0.200 40.632 40.800 0.053 0.000 0.918 375 D HN 0.449 nan 8.370 nan 0.000 0.503 376 E N -0.977 119.259 120.200 0.060 0.000 2.447 376 E HA -0.005 4.354 4.350 0.015 0.000 0.195 376 E C 1.205 177.989 176.600 0.306 0.000 1.028 376 E CA -0.124 56.361 56.400 0.143 0.000 0.876 376 E CB 0.237 30.022 29.700 0.142 0.000 0.885 376 E HN 0.178 nan 8.360 nan 0.000 0.500 377 F N 1.520 121.524 119.950 0.091 0.000 2.367 377 F HA 0.019 4.549 4.527 0.006 0.000 0.298 377 F C 2.162 177.953 175.800 -0.014 0.000 1.094 377 F CA 0.530 58.544 58.000 0.023 0.000 1.409 377 F CB -0.540 38.478 39.000 0.029 0.000 1.064 377 F HN -0.066 nan 8.300 nan 0.000 0.528 378 K N 0.984 121.509 120.400 0.209 0.000 2.000 378 K HA -0.200 4.129 4.320 0.015 0.000 0.218 378 K C -0.627 176.004 176.600 0.053 0.000 1.053 378 K CA 2.163 58.515 56.287 0.109 0.000 0.946 378 K CB -1.358 31.197 32.500 0.091 0.000 0.723 378 K HN 0.099 nan 8.250 nan 0.000 0.446 379 P HA -0.138 nan 4.420 nan 0.000 0.222 379 P C 1.270 178.563 177.300 -0.012 0.000 1.147 379 P CA 0.960 64.072 63.100 0.021 0.000 0.790 379 P CB 0.070 31.789 31.700 0.031 0.000 0.780 380 L N -1.066 120.147 121.223 -0.018 0.000 2.313 380 L HA -0.029 4.320 4.340 0.015 0.000 0.214 380 L C 2.487 179.254 176.870 -0.172 0.000 1.119 380 L CA 1.204 55.993 54.840 -0.085 0.000 0.809 380 L CB -0.915 41.087 42.059 -0.096 0.000 0.933 380 L HN -0.185 nan 8.230 nan 0.000 0.449 381 V N -1.234 118.580 119.914 -0.167 0.000 2.500 381 V HA -0.100 4.029 4.120 0.015 0.000 0.243 381 V C 2.147 178.138 176.094 -0.171 0.000 1.039 381 V CA 0.959 63.096 62.300 -0.272 0.000 1.053 381 V CB -0.289 31.394 31.823 -0.232 0.000 0.695 381 V HN 0.401 nan 8.190 nan 0.000 0.463 382 E N 0.130 120.280 120.200 -0.083 0.000 2.204 382 E HA -0.225 4.134 4.350 0.015 0.000 0.194 382 E C 2.122 178.695 176.600 -0.045 0.000 0.989 382 E CA 0.907 57.280 56.400 -0.046 0.000 0.824 382 E CB -0.087 29.605 29.700 -0.014 0.000 0.756 382 E HN 0.575 nan 8.360 nan 0.000 0.477 383 E N 1.363 121.530 120.200 -0.054 0.000 2.023 383 E HA -0.169 4.190 4.350 0.015 0.000 0.196 383 E C -0.566 176.009 176.600 -0.042 0.000 1.003 383 E CA 1.594 57.970 56.400 -0.040 0.000 0.809 383 E CB -0.769 28.905 29.700 -0.043 0.000 0.755 383 E HN 0.189 nan 8.360 nan 0.000 0.449 384 P HA -0.086 nan 4.420 nan 0.000 0.220 384 P C 1.464 178.735 177.300 -0.049 0.000 1.152 384 P CA 1.187 64.249 63.100 -0.063 0.000 0.812 384 P CB -0.131 31.506 31.700 -0.105 0.000 0.792 385 Q N -0.238 119.527 119.800 -0.059 0.000 2.020 385 Q HA -0.145 4.204 4.340 0.015 0.000 0.202 385 Q C 2.081 178.074 176.000 -0.012 0.000 0.982 385 Q CA 1.468 57.252 55.803 -0.032 0.000 0.838 385 Q CB -0.391 28.330 28.738 -0.028 0.000 0.899 385 Q HN 0.216 nan 8.270 nan 0.000 0.423 386 N N 0.322 119.016 118.700 -0.010 0.000 2.223 386 N HA -0.102 4.647 4.740 0.015 0.000 0.185 386 N C 1.630 177.147 175.510 0.011 0.000 1.016 386 N CA 0.799 53.851 53.050 0.003 0.000 0.863 386 N CB -0.154 38.335 38.487 0.004 0.000 0.983 386 N HN 0.201 nan 8.380 nan 0.000 0.429 387 L N 0.338 121.566 121.223 0.010 0.000 2.141 387 L HA -0.072 4.277 4.340 0.015 0.000 0.209 387 L C 1.882 178.769 176.870 0.029 0.000 1.094 387 L CA 0.701 55.557 54.840 0.026 0.000 0.763 387 L CB -0.225 41.850 42.059 0.027 0.000 0.908 387 L HN 0.164 nan 8.230 nan 0.000 0.437 388 I N 0.558 121.135 120.570 0.012 0.000 2.163 388 I HA -0.288 3.890 4.170 0.015 0.000 0.240 388 I C 3.097 179.215 176.117 0.002 0.000 1.081 388 I CA 1.744 63.046 61.300 0.003 0.000 1.353 388 I CB -1.208 36.788 38.000 -0.008 0.000 1.054 388 I HN 0.194 nan 8.210 nan 0.000 0.407 389 K N 0.761 121.164 120.400 0.006 0.000 1.978 389 K HA -0.253 4.076 4.320 0.015 0.000 0.214 389 K C 2.038 178.648 176.600 0.017 0.000 1.049 389 K CA 1.984 58.277 56.287 0.009 0.000 0.939 389 K CB -1.410 31.097 32.500 0.012 0.000 0.721 389 K HN 0.403 nan 8.250 nan 0.000 0.441 390 Q N 0.216 120.032 119.800 0.026 0.000 2.103 390 Q HA -0.245 4.103 4.340 0.015 0.000 0.213 390 Q C 2.200 178.236 176.000 0.059 0.000 1.008 390 Q CA 2.449 58.276 55.803 0.040 0.000 0.879 390 Q CB -0.195 28.569 28.738 0.043 0.000 0.946 390 Q HN 0.717 nan 8.270 nan 0.000 0.413 391 N N -1.145 117.597 118.700 0.069 0.000 2.409 391 N HA -0.068 4.681 4.740 0.015 0.000 0.179 391 N C 1.370 176.875 175.510 -0.010 0.000 1.032 391 N CA 0.832 53.950 53.050 0.113 0.000 0.898 391 N CB 0.094 38.681 38.487 0.166 0.000 0.971 391 N HN 0.332 nan 8.380 nan 0.000 0.441 392 c N 0.360 118.937 118.600 -0.039 0.000 2.533 392 c HA 0.121 4.700 4.570 0.015 0.000 0.272 392 c C 2.465 176.554 174.090 -0.002 0.000 1.371 392 c CA -0.179 56.098 56.329 -0.087 0.000 1.758 392 c CB -0.406 42.053 42.510 -0.085 0.000 1.972 392 c HN 0.446 nan 8.230 nan 0.000 0.522 393 E N 0.486 120.694 120.200 0.013 0.000 2.107 393 E HA -0.171 4.188 4.350 0.015 0.000 0.191 393 E C 1.948 178.567 176.600 0.031 0.000 0.982 393 E CA 0.836 57.252 56.400 0.026 0.000 0.809 393 E CB -0.046 29.670 29.700 0.027 0.000 0.756 393 E HN 0.438 nan 8.360 nan 0.000 0.459 394 L N 0.230 121.480 121.223 0.044 0.000 2.179 394 L HA -0.056 4.292 4.340 0.015 0.000 0.208 394 L C 1.861 178.742 176.870 0.018 0.000 1.096 394 L CA 1.275 56.160 54.840 0.076 0.000 0.779 394 L CB -0.510 41.658 42.059 0.181 0.000 0.922 394 L HN 0.115 nan 8.230 nan 0.000 0.443 395 F N -0.004 119.726 119.950 -0.367 0.000 2.546 395 F HA -0.101 4.434 4.527 0.014 0.000 0.298 395 F C 1.984 177.638 175.800 -0.243 0.000 1.120 395 F CA 1.241 58.876 58.000 -0.608 0.000 1.456 395 F CB 0.018 38.451 39.000 -0.945 0.000 1.088 395 F HN 0.256 nan 8.300 nan 0.000 0.572 396 E N -0.486 119.675 120.200 -0.066 0.000 2.127 396 E HA -0.117 4.241 4.350 0.015 0.000 0.191 396 E C 2.061 178.602 176.600 -0.098 0.000 0.964 396 E CA 0.526 56.879 56.400 -0.079 0.000 0.832 396 E CB -0.136 29.577 29.700 0.021 0.000 0.790 396 E HN 0.505 nan 8.360 nan 0.000 0.465 397 Q N 0.340 120.111 119.800 -0.049 0.000 2.135 397 Q HA -0.107 4.241 4.340 0.015 0.000 0.204 397 Q C 0.363 176.339 176.000 -0.041 0.000 0.981 397 Q CA 0.951 56.738 55.803 -0.027 0.000 0.856 397 Q CB -0.079 28.661 28.738 0.004 0.000 0.902 397 Q HN 0.183 nan 8.270 nan 0.000 0.425 398 L N -2.134 119.049 121.223 -0.066 0.000 2.354 398 L HA 0.638 4.987 4.340 0.015 0.000 0.264 398 L C 0.476 177.233 176.870 -0.188 0.000 1.008 398 L CA -1.208 53.598 54.840 -0.057 0.000 0.819 398 L CB 1.285 43.361 42.059 0.028 0.000 1.339 398 L HN -0.145 nan 8.230 nan 0.000 0.420 399 G N -0.364 108.346 108.800 -0.151 0.000 2.525 399 G HA2 0.085 4.054 3.960 0.015 0.000 0.276 399 G HA3 0.085 4.054 3.960 0.015 0.000 0.276 399 G C 0.486 175.220 174.900 -0.275 0.000 1.388 399 G CA -0.031 44.905 45.100 -0.274 0.000 1.050 399 G HN 0.890 nan 8.290 nan 0.000 0.520 400 E N -1.439 118.637 120.200 -0.207 0.000 2.051 400 E HA -0.227 4.132 4.350 0.015 0.000 0.192 400 E C 1.955 178.682 176.600 0.211 0.000 0.991 400 E CA 1.311 57.764 56.400 0.089 0.000 0.799 400 E CB -0.244 29.576 29.700 0.199 0.000 0.748 400 E HN 0.545 nan 8.360 nan 0.000 0.449 401 Y N 1.306 121.637 120.300 0.051 0.000 2.089 401 Y HA -0.245 4.315 4.550 0.016 0.000 0.282 401 Y C 2.676 178.602 175.900 0.043 0.000 1.139 401 Y CA 2.331 60.460 58.100 0.048 0.000 1.123 401 Y CB -0.549 37.927 38.460 0.027 0.000 0.980 401 Y HN -0.168 nan 8.280 nan 0.000 0.493 402 K N 0.017 120.458 120.400 0.068 0.000 2.152 402 K HA -0.194 4.135 4.320 0.015 0.000 0.206 402 K C 1.959 178.536 176.600 -0.039 0.000 1.048 402 K CA 1.442 57.711 56.287 -0.029 0.000 0.933 402 K CB -1.257 31.287 32.500 0.073 0.000 0.721 402 K HN 0.581 nan 8.250 nan 0.000 0.447 403 F N 1.523 121.407 119.950 -0.111 0.000 2.128 403 F HA -0.067 4.468 4.527 0.013 0.000 0.295 403 F C 2.252 178.010 175.800 -0.071 0.000 1.100 403 F CA 1.665 59.629 58.000 -0.060 0.000 1.260 403 F CB -0.445 38.564 39.000 0.016 0.000 1.009 403 F HN 0.183 nan 8.300 nan 0.000 0.476 404 Q N 0.081 119.750 119.800 -0.218 0.000 2.181 404 Q HA -0.223 4.126 4.340 0.015 0.000 0.205 404 Q C 1.709 177.496 176.000 -0.354 0.000 0.980 404 Q CA 1.619 57.234 55.803 -0.313 0.000 0.862 404 Q CB -0.332 28.312 28.738 -0.156 0.000 0.905 404 Q HN 0.431 nan 8.270 nan 0.000 0.429 405 N N 0.221 118.701 118.700 -0.367 0.000 2.270 405 N HA -0.061 4.688 4.740 0.015 0.000 0.181 405 N C 1.473 176.823 175.510 -0.267 0.000 1.016 405 N CA 1.141 53.999 53.050 -0.321 0.000 0.870 405 N CB -0.267 38.009 38.487 -0.351 0.000 0.979 405 N HN 0.228 nan 8.380 nan 0.000 0.431 406 A N 1.166 123.816 122.820 -0.284 0.000 1.930 406 A HA -0.021 4.308 4.320 0.015 0.000 0.217 406 A C 2.267 179.634 177.584 -0.363 0.000 1.175 406 A CA 0.803 52.686 52.037 -0.258 0.000 0.627 406 A CB -0.617 18.267 19.000 -0.194 0.000 0.815 406 A HN 0.178 nan 8.150 nan 0.000 0.443 407 L N -1.192 119.730 121.223 -0.501 0.000 2.017 407 L HA -0.170 4.178 4.340 0.015 0.000 0.208 407 L C 2.526 179.134 176.870 -0.437 0.000 1.073 407 L CA 0.839 55.317 54.840 -0.604 0.000 0.745 407 L CB -0.701 41.052 42.059 -0.511 0.000 0.894 407 L HN 0.312 nan 8.230 nan 0.000 0.432 408 L N -0.056 121.012 121.223 -0.258 0.000 1.978 408 L HA -0.251 4.097 4.340 0.015 0.000 0.218 408 L C 2.533 179.319 176.870 -0.140 0.000 1.075 408 L CA 1.785 56.540 54.840 -0.143 0.000 0.767 408 L CB -0.849 41.126 42.059 -0.140 0.000 0.890 408 L HN -0.026 nan 8.230 nan 0.000 0.434 409 V N -0.649 119.167 119.914 -0.164 0.000 2.469 409 V HA -0.311 3.818 4.120 0.015 0.000 0.251 409 V C 2.716 178.722 176.094 -0.148 0.000 1.064 409 V CA 1.992 64.214 62.300 -0.130 0.000 1.066 409 V CB -0.699 31.051 31.823 -0.122 0.000 0.667 409 V HN 0.482 nan 8.190 nan 0.000 0.461 410 R N -0.981 119.369 120.500 -0.251 0.000 2.057 410 R HA -0.134 4.215 4.340 0.015 0.000 0.229 410 R C 2.354 178.527 176.300 -0.211 0.000 1.136 410 R CA 1.735 57.651 56.100 -0.306 0.000 0.952 410 R CB -0.309 29.663 30.300 -0.546 0.000 0.848 410 R HN 0.471 nan 8.270 nan 0.000 0.430 411 Y N 0.252 120.501 120.300 -0.085 0.000 2.373 411 Y HA 0.002 4.559 4.550 0.012 0.000 0.293 411 Y C 2.368 178.218 175.900 -0.083 0.000 1.129 411 Y CA 1.057 59.110 58.100 -0.078 0.000 1.226 411 Y CB -0.624 37.781 38.460 -0.092 0.000 1.000 411 Y HN 0.096 nan 8.280 nan 0.000 0.549 412 T N -0.129 114.448 114.554 0.039 0.000 2.867 412 T HA -0.138 4.220 4.350 0.015 0.000 0.268 412 T C 1.820 176.477 174.700 -0.072 0.000 1.057 412 T CA 1.277 63.361 62.100 -0.027 0.000 1.136 412 T CB -0.086 68.756 68.868 -0.042 0.000 0.874 412 T HN 0.309 nan 8.240 nan 0.000 0.466 413 K N 0.586 120.955 120.400 -0.051 0.000 2.288 413 K HA 0.019 4.348 4.320 0.015 0.000 0.201 413 K C 2.279 178.856 176.600 -0.039 0.000 1.048 413 K CA 0.647 56.900 56.287 -0.056 0.000 0.956 413 K CB 0.114 32.592 32.500 -0.037 0.000 0.746 413 K HN 0.210 nan 8.250 nan 0.000 0.461 414 K N 0.575 120.979 120.400 0.008 0.000 2.005 414 K HA -0.028 4.301 4.320 0.015 0.000 0.206 414 K C 1.325 177.920 176.600 -0.009 0.000 1.044 414 K CA 1.127 57.433 56.287 0.032 0.000 0.942 414 K CB -0.073 32.495 32.500 0.114 0.000 0.727 414 K HN 0.068 nan 8.250 nan 0.000 0.439 415 V N -0.287 119.614 119.914 -0.022 0.000 2.260 415 V HA 0.240 4.368 4.120 0.015 0.000 0.263 415 V C -2.433 173.591 176.094 -0.116 0.000 1.036 415 V CA -1.707 60.562 62.300 -0.051 0.000 0.874 415 V CB 1.174 32.985 31.823 -0.020 0.000 1.116 415 V HN -0.105 nan 8.190 nan 0.000 0.454 416 P HA -0.130 nan 4.420 nan 0.000 0.215 416 P C 1.538 178.679 177.300 -0.265 0.000 1.153 416 P CA 1.468 64.290 63.100 -0.462 0.000 0.853 416 P CB 0.218 31.137 31.700 -1.301 0.000 0.788 417 Q N -0.614 119.095 119.800 -0.151 0.000 2.268 417 Q HA -0.104 4.245 4.340 0.015 0.000 0.210 417 Q C 0.601 176.626 176.000 0.040 0.000 0.988 417 Q CA 0.726 56.548 55.803 0.032 0.000 0.883 417 Q CB -1.495 27.292 28.738 0.081 0.000 0.911 417 Q HN 0.148 nan 8.270 nan 0.000 0.430 418 V N 0.904 120.826 119.914 0.014 0.000 2.740 418 V HA -0.009 4.120 4.120 0.015 0.000 0.303 418 V C 0.672 176.778 176.094 0.019 0.000 1.054 418 V CA -0.345 61.976 62.300 0.035 0.000 1.106 418 V CB 1.319 33.150 31.823 0.013 0.000 0.957 418 V HN 0.186 nan 8.190 nan 0.000 0.486 419 S N 3.007 118.725 115.700 0.030 0.000 2.558 419 S HA -0.042 4.437 4.470 0.015 0.000 0.291 419 S C 1.459 176.061 174.600 0.003 0.000 1.306 419 S CA 0.351 58.561 58.200 0.017 0.000 1.056 419 S CB 0.606 63.816 63.200 0.018 0.000 0.836 419 S HN 0.929 nan 8.310 nan 0.000 0.504 420 T N 5.631 120.183 114.554 -0.003 0.000 2.812 420 T HA 0.007 4.366 4.350 0.015 0.000 0.264 420 T C -1.006 173.688 174.700 -0.011 0.000 1.042 420 T CA 1.104 63.197 62.100 -0.011 0.000 1.140 420 T CB -0.858 67.997 68.868 -0.021 0.000 0.870 420 T HN 0.654 nan 8.240 nan 0.000 0.445 421 P HA 0.029 nan 4.420 nan 0.000 0.226 421 P C 1.112 178.410 177.300 -0.003 0.000 1.153 421 P CA 1.044 64.140 63.100 -0.006 0.000 0.777 421 P CB -0.113 31.584 31.700 -0.004 0.000 0.794 422 T N -0.309 114.243 114.554 -0.004 0.000 2.983 422 T HA 0.127 4.485 4.350 0.015 0.000 0.250 422 T C 1.846 176.535 174.700 -0.018 0.000 1.037 422 T CA 0.369 62.465 62.100 -0.006 0.000 1.142 422 T CB -0.544 68.326 68.868 0.004 0.000 0.876 422 T HN -0.004 nan 8.240 nan 0.000 0.455 423 L N 0.978 122.192 121.223 -0.015 0.000 2.042 423 L HA -0.101 4.247 4.340 0.015 0.000 0.210 423 L C 2.563 179.425 176.870 -0.012 0.000 1.076 423 L CA 0.973 55.804 54.840 -0.015 0.000 0.749 423 L CB -0.603 41.451 42.059 -0.009 0.000 0.893 423 L HN 0.147 nan 8.230 nan 0.000 0.432 424 V N -0.394 119.512 119.914 -0.013 0.000 2.295 424 V HA -0.297 3.832 4.120 0.015 0.000 0.246 424 V C 2.467 178.556 176.094 -0.008 0.000 1.049 424 V CA 1.937 64.230 62.300 -0.012 0.000 1.024 424 V CB -0.440 31.378 31.823 -0.007 0.000 0.648 424 V HN 0.476 nan 8.190 nan 0.000 0.447 425 E N -0.057 120.139 120.200 -0.007 0.000 2.031 425 E HA -0.200 4.159 4.350 0.015 0.000 0.193 425 E C 2.311 178.902 176.600 -0.015 0.000 0.994 425 E CA 1.729 58.126 56.400 -0.005 0.000 0.800 425 E CB -0.093 29.605 29.700 -0.004 0.000 0.752 425 E HN 0.371 nan 8.360 nan 0.000 0.447 426 V N 0.782 120.676 119.914 -0.034 0.000 2.282 426 V HA -0.287 3.842 4.120 0.015 0.000 0.249 426 V C 2.348 178.417 176.094 -0.041 0.000 1.057 426 V CA 2.140 64.401 62.300 -0.065 0.000 1.032 426 V CB -0.436 31.316 31.823 -0.118 0.000 0.645 426 V HN 0.259 nan 8.190 nan 0.000 0.447 427 S N -0.947 114.747 115.700 -0.009 0.000 2.423 427 S HA -0.132 4.347 4.470 0.015 0.000 0.231 427 S C 1.996 176.589 174.600 -0.012 0.000 1.014 427 S CA 1.107 59.318 58.200 0.018 0.000 0.965 427 S CB -0.245 62.960 63.200 0.009 0.000 0.785 427 S HN 0.549 nan 8.310 nan 0.000 0.495 428 R N 1.459 121.957 120.500 -0.005 0.000 2.062 428 R HA 0.085 4.433 4.340 0.015 0.000 0.229 428 R C 1.830 178.147 176.300 0.028 0.000 1.128 428 R CA 1.120 57.229 56.100 0.015 0.000 0.960 428 R CB -0.386 29.929 30.300 0.024 0.000 0.855 428 R HN 0.321 nan 8.270 nan 0.000 0.432 429 N N 0.902 119.609 118.700 0.012 0.000 2.166 429 N HA -0.136 4.613 4.740 0.015 0.000 0.186 429 N C 1.683 177.198 175.510 0.009 0.000 1.019 429 N CA 0.983 54.036 53.050 0.004 0.000 0.856 429 N CB -0.175 38.308 38.487 -0.007 0.000 0.993 429 N HN 0.045 nan 8.380 nan 0.000 0.426 430 L N 0.780 122.014 121.223 0.019 0.000 2.027 430 L HA 0.021 4.370 4.340 0.015 0.000 0.206 430 L C 2.353 179.304 176.870 0.134 0.000 1.074 430 L CA 1.451 56.324 54.840 0.054 0.000 0.745 430 L CB -1.443 40.658 42.059 0.071 0.000 0.898 430 L HN 0.167 nan 8.230 nan 0.000 0.433 431 G N -1.089 107.792 108.800 0.136 0.000 2.462 431 G HA2 -0.243 3.726 3.960 0.015 0.000 0.220 431 G HA3 -0.243 3.726 3.960 0.015 0.000 0.220 431 G C 1.731 176.816 174.900 0.308 0.000 1.121 431 G CA 0.546 45.848 45.100 0.337 0.000 0.758 431 G HN 0.343 nan 8.290 nan 0.000 0.559 432 K N -0.017 120.460 120.400 0.128 0.000 2.062 432 K HA 0.031 4.360 4.320 0.015 0.000 0.205 432 K C 2.549 179.084 176.600 -0.108 0.000 1.051 432 K CA 0.851 57.156 56.287 0.030 0.000 0.941 432 K CB -0.294 32.193 32.500 -0.022 0.000 0.719 432 K HN 0.221 nan 8.250 nan 0.000 0.440 433 V N 1.189 121.026 119.914 -0.129 0.000 2.490 433 V HA -0.185 3.943 4.120 0.015 0.000 0.250 433 V C 2.388 178.374 176.094 -0.181 0.000 1.061 433 V CA 2.159 64.318 62.300 -0.235 0.000 1.064 433 V CB -0.955 30.826 31.823 -0.071 0.000 0.670 433 V HN 0.483 nan 8.190 nan 0.000 0.461 434 G N -0.049 108.692 108.800 -0.098 0.000 2.432 434 G HA2 -0.256 3.712 3.960 0.015 0.000 0.219 434 G HA3 -0.256 3.712 3.960 0.015 0.000 0.219 434 G C 1.874 176.236 174.900 -0.896 0.000 1.135 434 G CA 1.365 46.260 45.100 -0.342 0.000 0.767 434 G HN 0.647 nan 8.290 nan 0.000 0.550 435 S N 0.219 115.553 115.700 -0.611 0.000 2.388 435 S HA 0.057 4.536 4.470 0.015 0.000 0.223 435 S C 2.098 176.551 174.600 -0.246 0.000 1.034 435 S CA 1.409 59.281 58.200 -0.546 0.000 0.963 435 S CB -0.185 63.120 63.200 0.175 0.000 0.827 435 S HN 0.251 nan 8.310 nan 0.000 0.481 436 K N 0.240 120.533 120.400 -0.179 0.000 2.280 436 K HA 0.093 4.421 4.320 0.015 0.000 0.202 436 K C 1.528 178.177 176.600 0.080 0.000 1.047 436 K CA 1.453 57.696 56.287 -0.074 0.000 0.942 436 K CB -0.396 31.944 32.500 -0.266 0.000 0.739 436 K HN 0.575 nan 8.250 nan 0.000 0.457 437 c N -1.862 116.715 118.600 -0.039 0.000 2.800 437 c HA 0.185 4.763 4.570 0.015 0.000 0.379 437 c C 2.155 176.257 174.090 0.020 0.000 1.304 437 c CA -0.495 55.836 56.329 0.003 0.000 1.960 437 c CB -0.382 42.088 42.510 -0.066 0.000 2.599 437 c HN 0.552 nan 8.230 nan 0.000 0.578 438 c N 1.696 120.185 118.600 -0.184 0.000 2.466 438 c HA 0.031 4.610 4.570 0.015 0.000 0.283 438 c C 2.892 176.942 174.090 -0.067 0.000 1.472 438 c CA 1.581 57.791 56.329 -0.198 0.000 1.765 438 c CB -1.679 40.544 42.510 -0.478 0.000 1.724 438 c HN 0.753 nan 8.230 nan 0.000 0.560 439 K N 0.002 120.400 120.400 -0.003 0.000 2.228 439 K HA -0.029 4.300 4.320 0.015 0.000 0.202 439 K C 0.789 177.375 176.600 -0.024 0.000 1.051 439 K CA 0.700 56.984 56.287 -0.005 0.000 0.960 439 K CB -0.640 31.840 32.500 -0.033 0.000 0.743 439 K HN 0.748 nan 8.250 nan 0.000 0.458 440 H N 0.436 119.487 119.070 -0.032 0.000 2.607 440 H HA 0.187 4.752 4.556 0.015 0.000 0.367 440 H C -2.285 173.033 175.328 -0.018 0.000 1.181 440 H CA -1.723 54.315 56.048 -0.016 0.000 1.402 440 H CB 1.314 31.071 29.762 -0.009 0.000 1.474 440 H HN 0.245 nan 8.280 nan 0.000 0.596 441 P HA 0.068 nan 4.420 nan 0.000 0.284 441 P C 0.613 177.946 177.300 0.055 0.000 1.258 441 P CA -0.371 62.762 63.100 0.055 0.000 0.824 441 P CB 1.356 33.075 31.700 0.032 0.000 1.038 442 E N 2.529 122.749 120.200 0.034 0.000 2.276 442 E HA -0.354 4.004 4.350 0.015 0.000 0.226 442 E C 1.907 178.523 176.600 0.027 0.000 1.090 442 E CA 2.973 59.389 56.400 0.026 0.000 0.930 442 E CB -0.764 28.950 29.700 0.022 0.000 0.791 442 E HN 0.538 nan 8.360 nan 0.000 0.467 443 A N -0.312 122.523 122.820 0.024 0.000 1.927 443 A HA -0.243 4.086 4.320 0.015 0.000 0.220 443 A C 2.126 179.716 177.584 0.011 0.000 1.185 443 A CA 2.210 54.256 52.037 0.015 0.000 0.639 443 A CB -0.285 18.719 19.000 0.007 0.000 0.820 443 A HN 0.158 nan 8.150 nan 0.000 0.451 444 K N -1.383 119.033 120.400 0.026 0.000 2.358 444 K HA 0.263 4.592 4.320 0.015 0.000 0.200 444 K C 1.750 178.308 176.600 -0.070 0.000 1.030 444 K CA 0.357 56.642 56.287 -0.002 0.000 1.097 444 K CB 0.102 32.645 32.500 0.072 0.000 0.862 444 K HN 0.625 nan 8.250 nan 0.000 0.534 445 R N 0.577 121.057 120.500 -0.033 0.000 2.070 445 R HA 0.088 4.436 4.340 0.015 0.000 0.232 445 R C 2.449 178.709 176.300 -0.067 0.000 1.138 445 R CA 2.146 58.211 56.100 -0.059 0.000 0.936 445 R CB -0.289 30.000 30.300 -0.018 0.000 0.839 445 R HN 0.214 nan 8.270 nan 0.000 0.429 446 M N -0.009 119.570 119.600 -0.034 0.000 2.080 446 M HA -0.123 4.366 4.480 0.015 0.000 0.260 446 M C -0.860 175.410 176.300 -0.050 0.000 1.068 446 M CA 1.985 57.265 55.300 -0.032 0.000 1.109 446 M CB -0.863 31.732 32.600 -0.009 0.000 1.342 446 M HN 0.017 nan 8.290 nan 0.000 0.405 447 P HA -0.127 nan 4.420 nan 0.000 0.218 447 P C 1.597 178.826 177.300 -0.118 0.000 1.148 447 P CA 1.118 64.167 63.100 -0.085 0.000 0.822 447 P CB -0.350 31.295 31.700 -0.092 0.000 0.784 448 c N 0.038 118.550 118.600 -0.145 0.000 2.455 448 c HA -0.054 4.525 4.570 0.015 0.000 0.281 448 c C 2.879 176.929 174.090 -0.068 0.000 1.237 448 c CA 1.719 57.941 56.329 -0.179 0.000 1.726 448 c CB -1.602 40.747 42.510 -0.270 0.000 2.068 448 c HN 0.245 nan 8.230 nan 0.000 0.466 449 A N 0.167 122.988 122.820 0.001 0.000 1.917 449 A HA -0.297 4.031 4.320 0.015 0.000 0.219 449 A C 2.177 179.788 177.584 0.045 0.000 1.182 449 A CA 2.317 54.396 52.037 0.070 0.000 0.633 449 A CB -1.092 17.922 19.000 0.023 0.000 0.819 449 A HN 0.872 nan 8.150 nan 0.000 0.448 450 E N -0.474 119.718 120.200 -0.013 0.000 2.110 450 E HA -0.249 4.109 4.350 0.015 0.000 0.193 450 E C 1.474 178.054 176.600 -0.032 0.000 0.988 450 E CA 1.298 57.689 56.400 -0.015 0.000 0.804 450 E CB -0.273 29.413 29.700 -0.024 0.000 0.745 450 E HN 0.604 nan 8.360 nan 0.000 0.458 451 D N -0.568 119.764 120.400 -0.113 0.000 2.092 451 D HA -0.172 4.477 4.640 0.015 0.000 0.193 451 D C 1.791 177.980 176.300 -0.186 0.000 0.994 451 D CA 1.310 55.185 54.000 -0.209 0.000 0.828 451 D CB -0.137 40.405 40.800 -0.430 0.000 0.963 451 D HN 0.310 nan 8.370 nan 0.000 0.450 452 Y N 0.414 120.709 120.300 -0.007 0.000 2.130 452 Y HA -0.083 4.475 4.550 0.014 0.000 0.287 452 Y C 2.287 178.179 175.900 -0.013 0.000 1.124 452 Y CA 0.144 58.241 58.100 -0.004 0.000 1.118 452 Y CB -0.867 37.587 38.460 -0.009 0.000 0.994 452 Y HN -0.093 nan 8.280 nan 0.000 0.497 453 L N 0.272 121.588 121.223 0.154 0.000 2.137 453 L HA -0.285 4.063 4.340 0.015 0.000 0.213 453 L C 2.605 179.487 176.870 0.019 0.000 1.085 453 L CA 2.177 57.051 54.840 0.056 0.000 0.760 453 L CB -1.262 40.819 42.059 0.035 0.000 0.893 453 L HN 0.406 nan 8.230 nan 0.000 0.434 454 S N -1.657 114.057 115.700 0.024 0.000 2.382 454 S HA -0.130 4.348 4.470 0.015 0.000 0.228 454 S C 1.813 176.418 174.600 0.008 0.000 1.027 454 S CA 1.349 59.553 58.200 0.007 0.000 0.991 454 S CB -0.852 62.348 63.200 0.000 0.000 0.823 454 S HN 0.286 nan 8.310 nan 0.000 0.469 455 V N 0.203 120.133 119.914 0.026 0.000 2.725 455 V HA 0.115 4.244 4.120 0.015 0.000 0.247 455 V C 2.450 178.553 176.094 0.016 0.000 1.058 455 V CA 0.741 63.059 62.300 0.030 0.000 1.080 455 V CB -1.004 30.854 31.823 0.058 0.000 0.713 455 V HN 0.396 nan 8.190 nan 0.000 0.465 456 V N 0.049 119.968 119.914 0.009 0.000 2.307 456 V HA -0.145 3.984 4.120 0.015 0.000 0.245 456 V C 2.475 178.513 176.094 -0.092 0.000 1.045 456 V CA 1.712 63.992 62.300 -0.032 0.000 1.024 456 V CB -0.528 31.273 31.823 -0.037 0.000 0.651 456 V HN 0.410 nan 8.190 nan 0.000 0.449 457 L N 0.443 121.598 121.223 -0.114 0.000 2.201 457 L HA -0.097 4.252 4.340 0.015 0.000 0.212 457 L C 2.070 178.897 176.870 -0.072 0.000 1.105 457 L CA 1.821 56.554 54.840 -0.180 0.000 0.775 457 L CB -1.201 40.772 42.059 -0.143 0.000 0.913 457 L HN 0.439 nan 8.230 nan 0.000 0.440 458 N N -1.277 117.410 118.700 -0.022 0.000 2.290 458 N HA -0.171 4.578 4.740 0.015 0.000 0.179 458 N C 1.862 177.376 175.510 0.006 0.000 1.016 458 N CA 0.668 53.725 53.050 0.012 0.000 0.871 458 N CB -0.014 38.484 38.487 0.017 0.000 0.987 458 N HN 0.365 nan 8.380 nan 0.000 0.431 459 Q N 0.160 119.956 119.800 -0.006 0.000 2.124 459 Q HA -0.170 4.179 4.340 0.015 0.000 0.202 459 Q C 1.945 177.938 176.000 -0.011 0.000 0.977 459 Q CA 1.326 57.128 55.803 -0.001 0.000 0.850 459 Q CB -0.178 28.559 28.738 -0.002 0.000 0.901 459 Q HN 0.485 nan 8.270 nan 0.000 0.429 460 L N 0.102 121.296 121.223 -0.048 0.000 2.141 460 L HA -0.076 4.273 4.340 0.015 0.000 0.209 460 L C 2.073 178.938 176.870 -0.009 0.000 1.094 460 L CA 1.554 56.353 54.840 -0.067 0.000 0.763 460 L CB -0.679 41.268 42.059 -0.186 0.000 0.908 460 L HN 0.277 nan 8.230 nan 0.000 0.437 461 c N -1.431 117.181 118.600 0.021 0.000 2.475 461 c HA -0.006 4.572 4.570 0.015 0.000 0.279 461 c C 2.673 176.818 174.090 0.093 0.000 1.322 461 c CA 0.694 57.075 56.329 0.086 0.000 1.734 461 c CB -0.569 42.003 42.510 0.104 0.000 2.005 461 c HN 0.496 nan 8.230 nan 0.000 0.495 462 V N 1.433 121.381 119.914 0.058 0.000 2.469 462 V HA -0.222 3.906 4.120 0.015 0.000 0.251 462 V C 2.309 178.435 176.094 0.053 0.000 1.064 462 V CA 1.632 63.961 62.300 0.047 0.000 1.066 462 V CB -0.724 31.117 31.823 0.030 0.000 0.667 462 V HN 0.545 nan 8.190 nan 0.000 0.461 463 L N -0.769 120.491 121.223 0.061 0.000 2.027 463 L HA -0.170 4.179 4.340 0.015 0.000 0.206 463 L C 2.568 179.493 176.870 0.092 0.000 1.074 463 L CA 1.958 56.835 54.840 0.062 0.000 0.745 463 L CB -1.015 41.078 42.059 0.056 0.000 0.898 463 L HN 0.420 nan 8.230 nan 0.000 0.433 464 H N -0.066 119.012 119.070 0.013 0.000 2.521 464 H HA -0.176 4.390 4.556 0.016 0.000 0.286 464 H C 2.127 177.465 175.328 0.016 0.000 1.034 464 H CA 1.206 57.265 56.048 0.019 0.000 1.278 464 H CB 0.498 30.281 29.762 0.035 0.000 1.386 464 H HN 0.330 nan 8.280 nan 0.000 0.567 465 E N 1.486 121.736 120.200 0.083 0.000 2.051 465 E HA -0.145 4.214 4.350 0.015 0.000 0.192 465 E C 1.617 178.210 176.600 -0.012 0.000 0.991 465 E CA 1.508 57.928 56.400 0.033 0.000 0.799 465 E CB 0.160 29.881 29.700 0.035 0.000 0.748 465 E HN 0.246 nan 8.360 nan 0.000 0.449 466 K N -0.823 119.570 120.400 -0.012 0.000 2.393 466 K HA 0.153 4.482 4.320 0.015 0.000 0.193 466 K C -0.139 176.433 176.600 -0.047 0.000 1.026 466 K CA 0.922 57.195 56.287 -0.023 0.000 1.064 466 K CB 0.857 33.351 32.500 -0.009 0.000 0.833 466 K HN 0.165 nan 8.250 nan 0.000 0.521 467 T N -0.819 113.685 114.554 -0.083 0.000 3.905 467 T HA 0.216 4.575 4.350 0.015 0.000 0.227 467 T C -2.916 171.616 174.700 -0.279 0.000 1.055 467 T CA -1.776 60.253 62.100 -0.118 0.000 1.607 467 T CB 0.481 69.312 68.868 -0.061 0.000 0.781 467 T HN -0.207 nan 8.240 nan 0.000 0.639 468 P HA 0.185 nan 4.420 nan 0.000 0.266 468 P C 0.284 177.298 177.300 -0.477 0.000 1.186 468 P CA -0.115 62.557 63.100 -0.713 0.000 0.767 468 P CB 1.440 32.953 31.700 -0.313 0.000 0.820 469 V N -0.007 119.652 119.914 -0.426 0.000 3.151 469 V HA 0.093 4.221 4.120 0.015 0.000 0.235 469 V C 0.727 176.924 176.094 0.172 0.000 1.501 469 V CA 0.692 63.010 62.300 0.029 0.000 1.211 469 V CB 0.739 32.656 31.823 0.156 0.000 1.049 469 V HN 0.599 nan 8.190 nan 0.000 0.455 470 S N 0.607 116.539 115.700 0.387 0.000 2.521 470 S HA 0.343 4.822 4.470 0.015 0.000 0.295 470 S C 0.444 175.186 174.600 0.235 0.000 1.098 470 S CA -0.193 58.148 58.200 0.235 0.000 0.999 470 S CB 1.679 64.958 63.200 0.132 0.000 1.034 470 S HN 0.566 nan 8.310 nan 0.000 0.483 471 D N 4.226 124.696 120.400 0.116 0.000 2.183 471 D HA -0.095 4.553 4.640 0.015 0.000 0.203 471 D C 1.569 177.891 176.300 0.036 0.000 0.969 471 D CA 0.823 54.870 54.000 0.077 0.000 0.842 471 D CB -0.105 40.721 40.800 0.044 0.000 0.957 471 D HN 0.428 nan 8.370 nan 0.000 0.484 472 R N 0.573 121.080 120.500 0.011 0.000 2.070 472 R HA -0.040 4.308 4.340 0.015 0.000 0.232 472 R C 2.596 178.832 176.300 -0.106 0.000 1.138 472 R CA 1.213 57.286 56.100 -0.044 0.000 0.936 472 R CB -0.659 29.621 30.300 -0.033 0.000 0.839 472 R HN 0.044 nan 8.270 nan 0.000 0.429 473 V N 0.372 120.223 119.914 -0.104 0.000 2.469 473 V HA -0.272 3.857 4.120 0.015 0.000 0.251 473 V C 1.979 177.988 176.094 -0.141 0.000 1.064 473 V CA 2.205 64.407 62.300 -0.163 0.000 1.066 473 V CB -0.517 31.071 31.823 -0.392 0.000 0.667 473 V HN 0.468 nan 8.190 nan 0.000 0.461 474 T N -0.785 113.753 114.554 -0.027 0.000 2.985 474 T HA -0.134 4.225 4.350 0.015 0.000 0.266 474 T C 1.929 176.623 174.700 -0.011 0.000 1.076 474 T CA 1.414 63.556 62.100 0.070 0.000 1.135 474 T CB -0.083 68.881 68.868 0.160 0.000 0.890 474 T HN 0.455 nan 8.240 nan 0.000 0.480 475 K N 1.102 121.465 120.400 -0.062 0.000 2.057 475 K HA -0.046 4.282 4.320 0.015 0.000 0.206 475 K C 2.098 178.615 176.600 -0.137 0.000 1.050 475 K CA 1.587 57.824 56.287 -0.083 0.000 0.935 475 K CB -0.733 31.713 32.500 -0.090 0.000 0.715 475 K HN 0.379 nan 8.250 nan 0.000 0.439 476 c N -0.445 117.990 118.600 -0.276 0.000 2.485 476 c HA 0.122 4.701 4.570 0.015 0.000 0.277 476 c C 2.714 176.670 174.090 -0.224 0.000 1.376 476 c CA -0.107 55.982 56.329 -0.400 0.000 1.759 476 c CB -1.128 40.778 42.510 -1.007 0.000 1.970 476 c HN 0.620 nan 8.230 nan 0.000 0.509 477 c N 2.036 120.570 118.600 -0.110 0.000 2.435 477 c HA -0.073 4.506 4.570 0.015 0.000 0.279 477 c C 2.965 177.090 174.090 0.058 0.000 1.321 477 c CA 2.093 58.458 56.329 0.061 0.000 1.752 477 c CB -1.399 41.176 42.510 0.107 0.000 1.959 477 c HN 0.822 nan 8.230 nan 0.000 0.500 478 T N -1.917 112.651 114.554 0.023 0.000 3.035 478 T HA 0.009 4.368 4.350 0.015 0.000 0.259 478 T C 0.625 175.359 174.700 0.056 0.000 1.078 478 T CA 0.231 62.350 62.100 0.032 0.000 1.132 478 T CB -0.043 68.832 68.868 0.012 0.000 0.900 478 T HN 0.583 nan 8.240 nan 0.000 0.480 479 E N 2.359 122.577 120.200 0.029 0.000 2.478 479 E HA 0.184 4.543 4.350 0.015 0.000 0.262 479 E C 0.141 176.821 176.600 0.132 0.000 1.243 479 E CA 0.023 56.450 56.400 0.045 0.000 1.039 479 E CB 0.434 30.119 29.700 -0.025 0.000 0.983 479 E HN 0.567 nan 8.360 nan 0.000 0.479 480 S N -0.058 115.717 115.700 0.124 0.000 2.573 480 S HA 0.026 4.505 4.470 0.015 0.000 0.277 480 S C 1.499 176.061 174.600 -0.064 0.000 1.346 480 S CA -0.045 58.213 58.200 0.096 0.000 1.034 480 S CB 0.821 64.024 63.200 0.005 0.000 0.879 480 S HN 0.666 nan 8.310 nan 0.000 0.528 481 L N 2.002 123.037 121.223 -0.313 0.000 2.353 481 L HA 0.069 4.418 4.340 0.015 0.000 0.220 481 L C 2.407 179.178 176.870 -0.165 0.000 1.133 481 L CA 1.655 56.350 54.840 -0.241 0.000 0.798 481 L CB -1.704 40.103 42.059 -0.419 0.000 0.922 481 L HN 0.817 nan 8.230 nan 0.000 0.445 482 V N -0.291 119.519 119.914 -0.175 0.000 3.052 482 V HA -0.070 4.059 4.120 0.015 0.000 0.254 482 V C 1.765 177.814 176.094 -0.075 0.000 1.100 482 V CA 1.417 63.649 62.300 -0.113 0.000 1.112 482 V CB -0.391 31.364 31.823 -0.113 0.000 0.738 482 V HN 0.862 nan 8.190 nan 0.000 0.469 483 N N -0.511 118.152 118.700 -0.062 0.000 2.184 483 N HA 0.099 4.848 4.740 0.015 0.000 0.206 483 N C 1.668 177.151 175.510 -0.045 0.000 1.151 483 N CA -0.033 52.987 53.050 -0.049 0.000 0.878 483 N CB 0.062 38.522 38.487 -0.045 0.000 1.014 483 N HN 0.347 nan 8.380 nan 0.000 0.512 484 R N 1.117 121.605 120.500 -0.021 0.000 2.103 484 R HA -0.025 4.323 4.340 0.015 0.000 0.242 484 R C 2.046 178.415 176.300 0.115 0.000 1.142 484 R CA 1.326 57.441 56.100 0.025 0.000 0.960 484 R CB 0.193 30.538 30.300 0.075 0.000 0.858 484 R HN -0.007 nan 8.270 nan 0.000 0.439 485 R N -0.040 120.523 120.500 0.105 0.000 2.066 485 R HA 0.025 4.373 4.340 0.015 0.000 0.224 485 R C -0.976 175.389 176.300 0.110 0.000 1.122 485 R CA 0.757 56.953 56.100 0.159 0.000 0.974 485 R CB -1.033 29.312 30.300 0.074 0.000 0.871 485 R HN 0.236 nan 8.270 nan 0.000 0.435 486 P HA -0.073 nan 4.420 nan 0.000 0.225 486 P C 1.473 178.766 177.300 -0.011 0.000 1.148 486 P CA 0.679 63.784 63.100 0.008 0.000 0.779 486 P CB -0.253 31.433 31.700 -0.022 0.000 0.780 487 c N -1.946 116.614 118.600 -0.065 0.000 2.466 487 c HA -0.063 4.516 4.570 0.015 0.000 0.278 487 c C 2.330 176.312 174.090 -0.180 0.000 1.288 487 c CA 0.455 56.681 56.329 -0.171 0.000 1.722 487 c CB -2.028 40.288 42.510 -0.323 0.000 2.017 487 c HN 0.066 nan 8.230 nan 0.000 0.488 488 F N 1.923 121.847 119.950 -0.043 0.000 2.186 488 F HA -0.061 4.476 4.527 0.017 0.000 0.299 488 F C 2.704 178.491 175.800 -0.022 0.000 1.090 488 F CA 1.874 59.839 58.000 -0.058 0.000 1.307 488 F CB -0.657 38.284 39.000 -0.098 0.000 1.019 488 F HN 0.173 nan 8.300 nan 0.000 0.489 489 S N -0.295 115.509 115.700 0.173 0.000 2.453 489 S HA -0.040 4.439 4.470 0.015 0.000 0.231 489 S C 2.126 176.777 174.600 0.084 0.000 1.005 489 S CA 0.757 59.034 58.200 0.128 0.000 0.949 489 S CB -0.485 62.771 63.200 0.093 0.000 0.774 489 S HN 0.329 nan 8.310 nan 0.000 0.510 490 A N 0.925 123.774 122.820 0.047 0.000 2.178 490 A HA 0.357 4.686 4.320 0.015 0.000 0.211 490 A C 0.792 178.388 177.584 0.021 0.000 1.157 490 A CA -0.101 51.948 52.037 0.020 0.000 0.780 490 A CB -0.353 18.642 19.000 -0.009 0.000 0.828 490 A HN 0.411 nan 8.150 nan 0.000 0.476 491 L N 1.156 122.400 121.223 0.035 0.000 2.559 491 L HA 0.021 4.370 4.340 0.015 0.000 0.282 491 L C 0.297 177.194 176.870 0.046 0.000 1.232 491 L CA 0.396 55.258 54.840 0.036 0.000 0.885 491 L CB 0.271 42.373 42.059 0.071 0.000 1.131 491 L HN 0.410 nan 8.230 nan 0.000 0.498 492 E N 1.340 121.558 120.200 0.030 0.000 2.235 492 E HA 0.353 4.712 4.350 0.015 0.000 0.265 492 E C -0.878 175.739 176.600 0.028 0.000 0.940 492 E CA -1.043 55.374 56.400 0.029 0.000 0.819 492 E CB 2.250 31.962 29.700 0.020 0.000 1.206 492 E HN 0.222 nan 8.360 nan 0.000 0.409 493 V N 2.237 122.165 119.914 0.023 0.000 2.720 493 V HA -0.122 4.007 4.120 0.015 0.000 0.307 493 V C 0.263 176.371 176.094 0.024 0.000 1.071 493 V CA 0.682 62.993 62.300 0.018 0.000 1.199 493 V CB 0.255 32.086 31.823 0.013 0.000 0.900 493 V HN 0.651 nan 8.190 nan 0.000 0.494 494 D N 4.057 124.469 120.400 0.021 0.000 2.317 494 D HA 0.125 4.774 4.640 0.015 0.000 0.252 494 D C 0.846 177.194 176.300 0.080 0.000 1.174 494 D CA -0.168 53.860 54.000 0.046 0.000 0.866 494 D CB 1.204 42.025 40.800 0.035 0.000 1.127 494 D HN 0.622 nan 8.370 nan 0.000 0.467 495 E N 1.854 122.099 120.200 0.075 0.000 2.431 495 E HA -0.007 4.352 4.350 0.015 0.000 0.200 495 E C 1.417 178.068 176.600 0.085 0.000 0.995 495 E CA 0.231 56.676 56.400 0.074 0.000 0.915 495 E CB 0.175 29.902 29.700 0.045 0.000 0.930 495 E HN 0.409 nan 8.360 nan 0.000 0.496 496 T N 0.970 115.580 114.554 0.093 0.000 2.867 496 T HA -0.136 4.223 4.350 0.015 0.000 0.268 496 T C 0.527 175.297 174.700 0.116 0.000 1.057 496 T CA 0.480 62.631 62.100 0.085 0.000 1.136 496 T CB -0.369 68.546 68.868 0.079 0.000 0.874 496 T HN 0.143 nan 8.240 nan 0.000 0.466 497 Y N 3.301 123.612 120.300 0.018 0.000 2.717 497 Y HA 0.216 4.774 4.550 0.015 0.000 0.330 497 Y C -0.268 175.643 175.900 0.019 0.000 1.217 497 Y CA -1.004 57.108 58.100 0.021 0.000 1.506 497 Y CB 0.236 38.711 38.460 0.024 0.000 1.268 497 Y HN -0.119 nan 8.280 nan 0.000 0.561 498 V N 8.642 128.213 119.914 -0.570 0.000 2.328 498 V HA 0.330 4.459 4.120 0.015 0.000 0.278 498 V C -1.989 173.650 176.094 -0.759 0.000 1.021 498 V CA -2.251 59.774 62.300 -0.459 0.000 0.838 498 V CB 0.481 32.154 31.823 -0.251 0.000 0.999 498 V HN 0.727 nan 8.190 nan 0.000 0.447 499 P HA -0.028 nan 4.420 nan 0.000 0.271 499 P C -0.186 177.051 177.300 -0.106 0.000 1.197 499 P CA 0.331 63.313 63.100 -0.198 0.000 0.777 499 P CB 0.651 32.312 31.700 -0.064 0.000 0.827 500 K N 0.521 120.987 120.400 0.109 0.000 2.090 500 K HA 0.401 4.729 4.320 0.015 0.000 0.250 500 K C 0.567 177.326 176.600 0.263 0.000 1.004 500 K CA -0.307 56.073 56.287 0.155 0.000 0.919 500 K CB 0.447 33.063 32.500 0.193 0.000 1.045 500 K HN 0.582 nan 8.250 nan 0.000 0.471 501 E N 1.943 122.238 120.200 0.159 0.000 2.259 501 E HA 0.145 4.504 4.350 0.015 0.000 0.281 501 E C -0.420 176.235 176.600 0.091 0.000 1.027 501 E CA -0.592 55.908 56.400 0.167 0.000 0.838 501 E CB 0.248 30.009 29.700 0.103 0.000 1.066 501 E HN 0.428 nan 8.360 nan 0.000 0.401 502 F N 2.901 122.779 119.950 -0.121 0.000 2.642 502 F HA 0.118 4.654 4.527 0.014 0.000 0.371 502 F C 0.679 176.445 175.800 -0.056 0.000 1.120 502 F CA 0.994 58.841 58.000 -0.254 0.000 1.331 502 F CB 0.727 39.585 39.000 -0.236 0.000 1.044 502 F HN 0.531 nan 8.300 nan 0.000 0.594 503 N N 4.555 122.852 118.700 -0.672 0.000 2.640 503 N HA 0.257 5.006 4.740 0.015 0.000 0.262 503 N C 0.331 175.496 175.510 -0.575 0.000 1.174 503 N CA 0.336 53.153 53.050 -0.389 0.000 0.791 503 N CB 1.406 39.718 38.487 -0.292 0.000 1.279 503 N HN 0.793 nan 8.380 nan 0.000 0.535 504 A N 2.594 125.289 122.820 -0.208 0.000 1.971 504 A HA -0.279 4.049 4.320 0.015 0.000 0.222 504 A C 1.982 179.485 177.584 -0.135 0.000 1.182 504 A CA 2.776 54.843 52.037 0.050 0.000 0.649 504 A CB -0.849 18.331 19.000 0.300 0.000 0.818 504 A HN 0.754 nan 8.150 nan 0.000 0.458 505 E N -0.964 119.136 120.200 -0.165 0.000 2.118 505 E HA -0.201 4.157 4.350 0.015 0.000 0.195 505 E C 1.922 178.336 176.600 -0.310 0.000 0.992 505 E CA 2.058 58.349 56.400 -0.183 0.000 0.804 505 E CB -1.793 27.828 29.700 -0.131 0.000 0.741 505 E HN 0.744 nan 8.360 nan 0.000 0.458 506 T N -0.574 113.682 114.554 -0.497 0.000 3.007 506 T HA 0.050 4.408 4.350 0.015 0.000 0.270 506 T C 0.476 174.595 174.700 -0.969 0.000 1.107 506 T CA 0.968 62.600 62.100 -0.779 0.000 1.118 506 T CB -0.221 67.975 68.868 -1.120 0.000 0.889 506 T HN 0.436 nan 8.240 nan 0.000 0.506 507 F N 1.072 120.835 119.950 -0.312 0.000 2.850 507 F HA 0.348 4.884 4.527 0.014 0.000 0.329 507 F C 0.388 175.767 175.800 -0.702 0.000 1.182 507 F CA -0.811 57.020 58.000 -0.282 0.000 1.270 507 F CB 0.164 39.060 39.000 -0.172 0.000 0.979 507 F HN -0.185 nan 8.300 nan 0.000 0.506 508 T N 2.339 116.545 114.554 -0.580 0.000 2.788 508 T HA 0.454 4.813 4.350 0.015 0.000 0.296 508 T C -0.784 173.461 174.700 -0.759 0.000 1.009 508 T CA -0.304 61.330 62.100 -0.776 0.000 0.949 508 T CB 0.112 68.726 68.868 -0.423 0.000 0.946 508 T HN -0.006 nan 8.240 nan 0.000 0.453 509 F N 1.717 121.603 119.950 -0.107 0.000 2.403 509 F HA 0.570 5.106 4.527 0.014 0.000 0.355 509 F C 0.412 176.029 175.800 -0.305 0.000 1.119 509 F CA -1.516 56.415 58.000 -0.114 0.000 1.007 509 F CB -0.089 39.008 39.000 0.163 0.000 1.194 509 F HN 0.490 nan 8.300 nan 0.000 0.443 510 H N 0.863 119.902 119.070 -0.052 0.000 2.544 510 H HA 0.587 5.152 4.556 0.015 0.000 0.365 510 H C 0.231 175.197 175.328 -0.604 0.000 1.268 510 H CA -0.481 55.428 56.048 -0.233 0.000 1.400 510 H CB 1.054 30.757 29.762 -0.098 0.000 1.538 510 H HN 0.833 nan 8.280 nan 0.000 0.597 511 A N 1.525 124.070 122.820 -0.458 0.000 3.046 511 A HA 0.002 4.331 4.320 0.015 0.000 0.259 511 A C -0.005 177.481 177.584 -0.163 0.000 1.843 511 A CA -0.009 51.753 52.037 -0.459 0.000 1.451 511 A CB -0.747 18.208 19.000 -0.074 0.000 1.025 511 A HN 0.695 nan 8.150 nan 0.000 0.625 512 D N 0.270 120.587 120.400 -0.139 0.000 2.482 512 D HA -0.029 4.619 4.640 0.015 0.000 0.251 512 D C 1.711 177.997 176.300 -0.023 0.000 1.073 512 D CA 0.833 54.807 54.000 -0.043 0.000 0.892 512 D CB -0.514 40.281 40.800 -0.008 0.000 1.202 512 D HN 0.643 nan 8.370 nan 0.000 0.496 513 I N 0.335 120.885 120.570 -0.034 0.000 2.335 513 I HA -0.226 3.953 4.170 0.015 0.000 0.251 513 I C 2.066 178.202 176.117 0.032 0.000 1.129 513 I CA 1.026 62.338 61.300 0.020 0.000 1.402 513 I CB -1.000 37.034 38.000 0.057 0.000 1.069 513 I HN -0.097 nan 8.210 nan 0.000 0.424 514 c N -0.035 118.584 118.600 0.032 0.000 2.429 514 c HA -0.133 4.446 4.570 0.015 0.000 0.277 514 c C 2.486 176.595 174.090 0.032 0.000 1.262 514 c CA 1.397 57.760 56.329 0.057 0.000 1.733 514 c CB -1.745 40.819 42.510 0.091 0.000 2.010 514 c HN 0.690 nan 8.230 nan 0.000 0.483 515 T N 0.346 114.913 114.554 0.021 0.000 3.273 515 T HA 0.422 4.781 4.350 0.015 0.000 0.254 515 T C -0.053 174.655 174.700 0.013 0.000 1.002 515 T CA 0.022 62.131 62.100 0.015 0.000 0.913 515 T CB -0.619 68.256 68.868 0.013 0.000 1.056 515 T HN 0.314 nan 8.240 nan 0.000 0.576 516 L N 1.755 122.988 121.223 0.016 0.000 2.322 516 L HA 0.565 4.914 4.340 0.015 0.000 0.269 516 L C 0.672 177.550 176.870 0.013 0.000 1.012 516 L CA -1.072 53.778 54.840 0.017 0.000 0.815 516 L CB 2.008 44.081 42.059 0.024 0.000 1.295 516 L HN 0.269 nan 8.230 nan 0.000 0.438 517 S N 0.035 115.743 115.700 0.013 0.000 2.573 517 S HA 0.046 4.524 4.470 0.015 0.000 0.277 517 S C 0.879 175.482 174.600 0.006 0.000 1.346 517 S CA -0.624 57.582 58.200 0.009 0.000 1.034 517 S CB 0.984 64.192 63.200 0.012 0.000 0.879 517 S HN 0.595 nan 8.310 nan 0.000 0.528 518 E N 2.276 122.472 120.200 -0.006 0.000 2.114 518 E HA -0.235 4.124 4.350 0.015 0.000 0.199 518 E C 2.637 179.236 176.600 -0.001 0.000 1.008 518 E CA 2.126 58.512 56.400 -0.024 0.000 0.810 518 E CB -0.996 28.682 29.700 -0.037 0.000 0.739 518 E HN 0.881 nan 8.360 nan 0.000 0.456 519 K N 1.497 121.907 120.400 0.018 0.000 2.074 519 K HA -0.200 4.129 4.320 0.015 0.000 0.209 519 K C 1.883 178.512 176.600 0.048 0.000 1.048 519 K CA 1.738 58.048 56.287 0.039 0.000 0.926 519 K CB -0.530 31.991 32.500 0.035 0.000 0.713 519 K HN 0.079 nan 8.250 nan 0.000 0.444 520 E N -0.228 119.995 120.200 0.038 0.000 2.112 520 E HA -0.031 4.328 4.350 0.015 0.000 0.190 520 E C 2.320 178.955 176.600 0.058 0.000 0.979 520 E CA 0.741 57.167 56.400 0.044 0.000 0.814 520 E CB -0.162 29.558 29.700 0.034 0.000 0.762 520 E HN 0.576 nan 8.360 nan 0.000 0.460 521 R N 0.934 121.463 120.500 0.049 0.000 2.083 521 R HA -0.141 4.208 4.340 0.015 0.000 0.237 521 R C 2.523 178.885 176.300 0.102 0.000 1.137 521 R CA 1.802 57.941 56.100 0.064 0.000 0.951 521 R CB -0.124 30.191 30.300 0.024 0.000 0.851 521 R HN 0.233 nan 8.270 nan 0.000 0.434 522 Q N 0.054 119.913 119.800 0.098 0.000 1.993 522 Q HA -0.169 4.179 4.340 0.015 0.000 0.202 522 Q C 2.215 178.339 176.000 0.205 0.000 0.984 522 Q CA 1.715 57.661 55.803 0.239 0.000 0.837 522 Q CB -0.264 28.651 28.738 0.296 0.000 0.902 522 Q HN 0.360 nan 8.270 nan 0.000 0.423 523 I N 0.995 121.645 120.570 0.133 0.000 2.248 523 I HA -0.329 3.850 4.170 0.015 0.000 0.248 523 I C 2.270 178.431 176.117 0.074 0.000 1.107 523 I CA 1.357 62.709 61.300 0.088 0.000 1.373 523 I CB -0.343 37.695 38.000 0.063 0.000 1.055 523 I HN 0.222 nan 8.210 nan 0.000 0.418 524 K N 0.903 121.355 120.400 0.087 0.000 2.025 524 K HA -0.154 4.175 4.320 0.015 0.000 0.207 524 K C 2.150 178.807 176.600 0.095 0.000 1.049 524 K CA 1.268 57.606 56.287 0.086 0.000 0.933 524 K CB -0.125 32.437 32.500 0.104 0.000 0.714 524 K HN 0.294 nan 8.250 nan 0.000 0.438 525 K N 1.092 121.571 120.400 0.132 0.000 2.057 525 K HA -0.158 4.170 4.320 0.015 0.000 0.206 525 K C 2.285 178.898 176.600 0.020 0.000 1.050 525 K CA 1.342 57.691 56.287 0.103 0.000 0.935 525 K CB -0.026 32.606 32.500 0.221 0.000 0.715 525 K HN 0.156 nan 8.250 nan 0.000 0.439 526 Q N -0.036 119.796 119.800 0.052 0.000 2.084 526 Q HA -0.113 4.236 4.340 0.015 0.000 0.202 526 Q C 2.010 177.997 176.000 -0.022 0.000 0.978 526 Q CA 1.725 57.523 55.803 -0.009 0.000 0.844 526 Q CB -0.003 28.733 28.738 -0.003 0.000 0.898 526 Q HN 0.288 nan 8.270 nan 0.000 0.426 527 T N 0.540 115.090 114.554 -0.006 0.000 2.788 527 T HA -0.166 4.193 4.350 0.015 0.000 0.268 527 T C 1.793 176.468 174.700 -0.043 0.000 1.044 527 T CA 1.203 63.289 62.100 -0.023 0.000 1.139 527 T CB -0.220 68.636 68.868 -0.020 0.000 0.867 527 T HN 0.388 nan 8.240 nan 0.000 0.454 528 A N 1.122 123.918 122.820 -0.039 0.000 1.929 528 A HA 0.065 4.394 4.320 0.015 0.000 0.216 528 A C 2.188 179.785 177.584 0.021 0.000 1.176 528 A CA 0.905 52.921 52.037 -0.035 0.000 0.628 528 A CB -0.670 18.324 19.000 -0.011 0.000 0.816 528 A HN 0.384 nan 8.150 nan 0.000 0.444 529 L N 0.152 121.353 121.223 -0.037 0.000 2.017 529 L HA -0.115 4.234 4.340 0.015 0.000 0.208 529 L C 2.398 179.267 176.870 -0.001 0.000 1.073 529 L CA 1.955 56.772 54.840 -0.039 0.000 0.745 529 L CB -0.776 41.234 42.059 -0.082 0.000 0.894 529 L HN 0.162 nan 8.230 nan 0.000 0.432 530 V N -0.072 119.834 119.914 -0.013 0.000 2.332 530 V HA -0.249 3.879 4.120 0.015 0.000 0.248 530 V C 2.638 178.752 176.094 0.033 0.000 1.055 530 V CA 1.852 64.148 62.300 -0.006 0.000 1.038 530 V CB -0.683 31.129 31.823 -0.018 0.000 0.651 530 V HN 0.469 nan 8.190 nan 0.000 0.450 531 E N -0.248 119.976 120.200 0.040 0.000 2.150 531 E HA -0.178 4.181 4.350 0.015 0.000 0.193 531 E C 2.102 178.860 176.600 0.263 0.000 0.985 531 E CA 0.936 57.385 56.400 0.080 0.000 0.814 531 E CB -0.326 29.321 29.700 -0.087 0.000 0.752 531 E HN 0.475 nan 8.360 nan 0.000 0.466 532 L N 0.743 122.138 121.223 0.287 0.000 2.046 532 L HA -0.127 4.222 4.340 0.015 0.000 0.208 532 L C 2.214 179.192 176.870 0.180 0.000 1.077 532 L CA 1.347 56.352 54.840 0.275 0.000 0.747 532 L CB -0.592 41.549 42.059 0.137 0.000 0.896 532 L HN -0.125 nan 8.230 nan 0.000 0.432 533 V N -0.210 119.769 119.914 0.109 0.000 2.358 533 V HA -0.262 3.867 4.120 0.015 0.000 0.246 533 V C 2.578 178.741 176.094 0.114 0.000 1.047 533 V CA 1.905 64.246 62.300 0.068 0.000 1.035 533 V CB -0.716 31.116 31.823 0.014 0.000 0.658 533 V HN 0.442 nan 8.190 nan 0.000 0.452 534 K N -0.817 119.671 120.400 0.146 0.000 2.280 534 K HA -0.207 4.122 4.320 0.015 0.000 0.202 534 K C 2.148 178.950 176.600 0.337 0.000 1.047 534 K CA 1.477 57.902 56.287 0.230 0.000 0.942 534 K CB -0.188 32.424 32.500 0.188 0.000 0.739 534 K HN 0.577 nan 8.250 nan 0.000 0.457 535 H N 0.264 119.449 119.070 0.191 0.000 2.370 535 H HA 0.073 4.638 4.556 0.015 0.000 0.304 535 H C 0.004 175.412 175.328 0.134 0.000 1.055 535 H CA 0.975 57.129 56.048 0.176 0.000 1.373 535 H CB 0.590 30.478 29.762 0.210 0.000 1.423 535 H HN -0.284 nan 8.280 nan 0.000 0.533 536 K N 1.858 122.222 120.400 -0.059 0.000 2.606 536 K HA 0.229 4.558 4.320 0.015 0.000 0.196 536 K C -2.358 174.238 176.600 -0.007 0.000 1.048 536 K CA -0.905 55.306 56.287 -0.126 0.000 1.017 536 K CB 1.139 33.556 32.500 -0.139 0.000 1.413 536 K HN 0.459 nan 8.250 nan 0.000 0.568 537 P HA -0.060 nan 4.420 nan 0.000 0.234 537 P C 0.322 177.642 177.300 0.032 0.000 1.167 537 P CA 0.779 63.919 63.100 0.066 0.000 0.763 537 P CB 0.330 32.129 31.700 0.164 0.000 0.835 538 K N -0.424 119.983 120.400 0.011 0.000 2.397 538 K HA 0.302 4.630 4.320 0.015 0.000 0.202 538 K C 0.665 177.260 176.600 -0.009 0.000 1.022 538 K CA -0.300 55.989 56.287 0.002 0.000 1.141 538 K CB 0.701 33.200 32.500 -0.001 0.000 0.857 538 K HN 0.027 nan 8.250 nan 0.000 0.514 539 A N 1.735 124.548 122.820 -0.013 0.000 2.454 539 A HA 0.203 4.532 4.320 0.015 0.000 0.260 539 A C 0.489 178.065 177.584 -0.014 0.000 1.106 539 A CA 0.015 52.042 52.037 -0.016 0.000 0.780 539 A CB 0.048 19.038 19.000 -0.017 0.000 1.044 539 A HN 0.159 nan 8.150 nan 0.000 0.498 540 T N 2.104 116.650 114.554 -0.013 0.000 2.663 540 T HA 0.338 4.697 4.350 0.015 0.000 0.325 540 T C 1.983 176.673 174.700 -0.016 0.000 1.059 540 T CA 0.520 62.612 62.100 -0.013 0.000 1.039 540 T CB 0.252 69.114 68.868 -0.009 0.000 0.996 540 T HN 0.890 nan 8.240 nan 0.000 0.539 541 K N 0.211 120.602 120.400 -0.016 0.000 2.296 541 K HA 0.023 4.352 4.320 0.015 0.000 0.200 541 K C 1.967 178.559 176.600 -0.013 0.000 1.048 541 K CA 0.907 57.182 56.287 -0.020 0.000 0.966 541 K CB -0.425 32.063 32.500 -0.020 0.000 0.754 541 K HN 0.517 nan 8.250 nan 0.000 0.466 542 E N 0.922 121.117 120.200 -0.009 0.000 2.014 542 E HA -0.088 4.270 4.350 0.015 0.000 0.190 542 E C 2.297 178.895 176.600 -0.003 0.000 0.980 542 E CA 1.143 57.541 56.400 -0.004 0.000 0.807 542 E CB -0.311 29.388 29.700 -0.002 0.000 0.770 542 E HN 0.700 nan 8.360 nan 0.000 0.451 543 Q N 0.198 119.994 119.800 -0.006 0.000 2.062 543 Q HA -0.217 4.132 4.340 0.015 0.000 0.209 543 Q C 2.201 178.198 176.000 -0.006 0.000 0.996 543 Q CA 1.447 57.246 55.803 -0.006 0.000 0.859 543 Q CB -0.334 28.398 28.738 -0.010 0.000 0.920 543 Q HN 0.116 nan 8.270 nan 0.000 0.415 544 L N 1.258 122.475 121.223 -0.011 0.000 2.043 544 L HA -0.220 4.128 4.340 0.015 0.000 0.212 544 L C 2.302 179.167 176.870 -0.009 0.000 1.075 544 L CA 1.802 56.633 54.840 -0.015 0.000 0.752 544 L CB -0.680 41.365 42.059 -0.023 0.000 0.891 544 L HN 0.175 nan 8.230 nan 0.000 0.432 545 K N -0.872 119.525 120.400 -0.004 0.000 2.057 545 K HA -0.176 4.153 4.320 0.015 0.000 0.207 545 K C 2.008 178.620 176.600 0.020 0.000 1.049 545 K CA 1.316 57.606 56.287 0.006 0.000 0.931 545 K CB -0.056 32.447 32.500 0.006 0.000 0.714 545 K HN 0.312 nan 8.250 nan 0.000 0.440 546 A N 0.899 123.729 122.820 0.017 0.000 1.865 546 A HA -0.153 4.176 4.320 0.015 0.000 0.217 546 A C 2.280 179.886 177.584 0.037 0.000 1.191 546 A CA 1.972 54.023 52.037 0.024 0.000 0.623 546 A CB -0.858 18.152 19.000 0.017 0.000 0.826 546 A HN 0.178 nan 8.150 nan 0.000 0.444 547 V N -0.244 119.686 119.914 0.027 0.000 2.407 547 V HA -0.301 3.828 4.120 0.015 0.000 0.248 547 V C 2.571 178.703 176.094 0.064 0.000 1.055 547 V CA 2.172 64.492 62.300 0.035 0.000 1.049 547 V CB -0.686 31.139 31.823 0.003 0.000 0.662 547 V HN 0.569 nan 8.190 nan 0.000 0.455 548 M N -0.109 119.518 119.600 0.046 0.000 2.476 548 M HA -0.093 4.396 4.480 0.015 0.000 0.262 548 M C 1.978 178.365 176.300 0.144 0.000 1.079 548 M CA 1.680 57.024 55.300 0.073 0.000 1.104 548 M CB -0.717 31.902 32.600 0.032 0.000 1.409 548 M HN 0.687 nan 8.290 nan 0.000 0.467 549 D N 0.425 120.889 120.400 0.107 0.000 2.107 549 D HA -0.154 4.495 4.640 0.015 0.000 0.204 549 D C 1.441 177.811 176.300 0.116 0.000 0.978 549 D CA 1.251 55.310 54.000 0.099 0.000 0.852 549 D CB -0.620 40.218 40.800 0.063 0.000 1.008 549 D HN 0.313 nan 8.370 nan 0.000 0.458 550 D N -1.132 119.333 120.400 0.109 0.000 2.357 550 D HA -0.053 4.596 4.640 0.015 0.000 0.216 550 D C 1.286 177.679 176.300 0.154 0.000 0.973 550 D CA 0.436 54.504 54.000 0.112 0.000 0.912 550 D CB -0.219 40.638 40.800 0.096 0.000 0.900 550 D HN 0.572 nan 8.370 nan 0.000 0.501 551 F N 0.833 120.793 119.950 0.016 0.000 2.383 551 F HA 0.214 4.750 4.527 0.015 0.000 0.287 551 F C 2.218 178.049 175.800 0.052 0.000 1.069 551 F CA 0.650 58.636 58.000 -0.024 0.000 1.402 551 F CB -0.070 38.874 39.000 -0.092 0.000 1.116 551 F HN -0.078 nan 8.300 nan 0.000 0.549 552 A N 0.943 123.874 122.820 0.186 0.000 1.865 552 A HA -0.150 4.179 4.320 0.015 0.000 0.217 552 A C 2.402 179.971 177.584 -0.025 0.000 1.191 552 A CA 2.181 54.272 52.037 0.091 0.000 0.623 552 A CB -1.645 17.431 19.000 0.128 0.000 0.826 552 A HN 0.496 nan 8.150 nan 0.000 0.444 553 A N -1.112 121.711 122.820 0.005 0.000 1.883 553 A HA -0.095 4.234 4.320 0.015 0.000 0.217 553 A C 2.060 179.594 177.584 -0.083 0.000 1.186 553 A CA 1.783 53.803 52.037 -0.028 0.000 0.624 553 A CB -0.859 18.142 19.000 0.001 0.000 0.822 553 A HN 0.794 nan 8.150 nan 0.000 0.444 554 F N 1.133 120.936 119.950 -0.246 0.000 2.027 554 F HA -0.277 4.259 4.527 0.015 0.000 0.297 554 F C 2.241 177.783 175.800 -0.429 0.000 1.129 554 F CA 2.523 60.320 58.000 -0.339 0.000 1.195 554 F CB -0.679 38.068 39.000 -0.422 0.000 0.960 554 F HN 0.043 nan 8.300 nan 0.000 0.485 555 V N 0.568 120.328 119.914 -0.257 0.000 2.317 555 V HA -0.365 3.763 4.120 0.015 0.000 0.251 555 V C 2.716 178.660 176.094 -0.250 0.000 1.065 555 V CA 2.622 64.779 62.300 -0.238 0.000 1.049 555 V CB -2.052 29.665 31.823 -0.177 0.000 0.651 555 V HN 0.646 nan 8.190 nan 0.000 0.450 556 E N 0.324 120.399 120.200 -0.207 0.000 2.001 556 E HA -0.315 4.044 4.350 0.015 0.000 0.195 556 E C 2.372 178.832 176.600 -0.233 0.000 1.002 556 E CA 1.955 58.258 56.400 -0.162 0.000 0.819 556 E CB -0.951 28.681 29.700 -0.112 0.000 0.769 556 E HN 0.494 nan 8.360 nan 0.000 0.454 557 K N -0.726 119.504 120.400 -0.283 0.000 2.520 557 K HA -0.110 4.219 4.320 0.015 0.000 0.198 557 K C 1.755 178.096 176.600 -0.433 0.000 1.045 557 K CA 1.403 57.504 56.287 -0.311 0.000 0.934 557 K CB -1.656 30.665 32.500 -0.299 0.000 0.766 557 K HN 0.713 nan 8.250 nan 0.000 0.483 558 c N -2.246 115.999 118.600 -0.591 0.000 3.270 558 c HA 0.381 4.960 4.570 0.015 0.000 0.369 558 c C 1.760 175.670 174.090 -0.301 0.000 1.326 558 c CA -0.207 55.686 56.329 -0.727 0.000 1.846 558 c CB -0.239 41.186 42.510 -1.809 0.000 2.534 558 c HN 0.708 nan 8.230 nan 0.000 0.649 559 c N 0.923 119.441 118.600 -0.137 0.000 2.668 559 c HA 0.238 4.816 4.570 0.015 0.000 0.301 559 c C 1.506 175.588 174.090 -0.013 0.000 1.351 559 c CA 0.232 56.590 56.329 0.048 0.000 1.757 559 c CB -1.724 40.854 42.510 0.114 0.000 2.179 559 c HN 0.610 nan 8.230 nan 0.000 0.586 560 K N 0.329 120.689 120.400 -0.066 0.000 2.586 560 K HA 0.378 4.707 4.320 0.015 0.000 0.198 560 K C 0.111 176.671 176.600 -0.066 0.000 1.170 560 K CA 0.097 56.349 56.287 -0.058 0.000 1.069 560 K CB 0.606 33.064 32.500 -0.069 0.000 0.944 560 K HN 0.336 nan 8.250 nan 0.000 0.572 561 A N 0.064 122.837 122.820 -0.080 0.000 2.325 561 A HA 0.470 4.799 4.320 0.015 0.000 0.333 561 A C 0.598 178.158 177.584 -0.040 0.000 1.155 561 A CA 0.275 52.266 52.037 -0.077 0.000 0.814 561 A CB 0.929 19.854 19.000 -0.125 0.000 1.206 561 A HN 0.311 nan 8.150 nan 0.000 0.482 562 D N 0.282 120.662 120.400 -0.032 0.000 2.311 562 D HA -0.052 4.596 4.640 0.015 0.000 0.212 562 D C 0.234 176.532 176.300 -0.003 0.000 0.972 562 D CA 1.689 55.680 54.000 -0.014 0.000 0.887 562 D CB -0.017 40.775 40.800 -0.015 0.000 0.915 562 D HN 0.539 nan 8.370 nan 0.000 0.497 563 D N -1.212 119.185 120.400 -0.005 0.000 2.552 563 D HA 0.396 5.044 4.640 0.015 0.000 0.285 563 D C 0.141 176.467 176.300 0.042 0.000 1.206 563 D CA 0.022 54.033 54.000 0.017 0.000 0.826 563 D CB 0.246 41.053 40.800 0.012 0.000 1.179 563 D HN 0.523 nan 8.370 nan 0.000 0.508 564 K N 0.971 121.420 120.400 0.081 0.000 2.336 564 K HA 0.293 4.622 4.320 0.015 0.000 0.262 564 K C 1.098 177.837 176.600 0.233 0.000 0.992 564 K CA 0.371 56.778 56.287 0.200 0.000 0.927 564 K CB 0.130 32.776 32.500 0.244 0.000 0.956 564 K HN 0.500 nan 8.250 nan 0.000 0.495 565 E N -0.972 119.474 120.200 0.410 0.000 4.484 565 E HA -0.198 4.161 4.350 0.015 0.000 0.162 565 E C 1.659 178.415 176.600 0.261 0.000 0.911 565 E CA 1.939 58.526 56.400 0.312 0.000 2.591 565 E CB -1.571 28.229 29.700 0.167 0.000 1.589 565 E HN 0.776 nan 8.360 nan 0.000 0.602 566 T N 0.145 114.800 114.554 0.168 0.000 2.937 566 T HA -0.040 4.318 4.350 0.015 0.000 0.260 566 T C 1.651 176.406 174.700 0.091 0.000 1.051 566 T CA 1.270 63.438 62.100 0.113 0.000 1.141 566 T CB -0.222 68.684 68.868 0.063 0.000 0.879 566 T HN 0.462 nan 8.240 nan 0.000 0.459 567 c N 0.777 119.394 118.600 0.028 0.000 2.425 567 c HA -0.006 4.573 4.570 0.015 0.000 0.277 567 c C 2.215 176.216 174.090 -0.149 0.000 1.280 567 c CA 0.386 56.630 56.329 -0.141 0.000 1.744 567 c CB -1.667 40.650 42.510 -0.323 0.000 1.989 567 c HN 0.551 nan 8.230 nan 0.000 0.491 568 F N 1.023 121.017 119.950 0.073 0.000 2.502 568 F HA 0.150 4.686 4.527 0.014 0.000 0.298 568 F C 2.327 178.318 175.800 0.318 0.000 1.111 568 F CA 1.102 59.271 58.000 0.282 0.000 1.445 568 F CB -0.303 38.874 39.000 0.295 0.000 1.081 568 F HN 0.305 nan 8.300 nan 0.000 0.558 569 A N -0.260 122.770 122.820 0.350 0.000 1.973 569 A HA 0.157 4.486 4.320 0.015 0.000 0.210 569 A C 2.032 179.731 177.584 0.191 0.000 1.200 569 A CA 1.150 53.336 52.037 0.247 0.000 0.707 569 A CB -0.828 18.292 19.000 0.200 0.000 0.862 569 A HN 0.279 nan 8.150 nan 0.000 0.461 570 E N -0.122 120.173 120.200 0.159 0.000 2.075 570 E HA -0.048 4.311 4.350 0.015 0.000 0.190 570 E C 1.791 178.479 176.600 0.147 0.000 0.969 570 E CA 1.064 57.534 56.400 0.117 0.000 0.815 570 E CB -0.529 29.213 29.700 0.070 0.000 0.776 570 E HN 0.413 nan 8.360 nan 0.000 0.457 571 E N 0.427 120.723 120.200 0.160 0.000 2.204 571 E HA -0.021 4.337 4.350 0.015 0.000 0.194 571 E C 2.280 179.201 176.600 0.536 0.000 0.989 571 E CA 0.921 57.463 56.400 0.237 0.000 0.824 571 E CB -0.434 29.272 29.700 0.010 0.000 0.756 571 E HN 0.517 nan 8.360 nan 0.000 0.477 572 G N 1.038 110.197 108.800 0.598 0.000 2.414 572 G HA2 -0.267 3.701 3.960 0.015 0.000 0.215 572 G HA3 -0.267 3.701 3.960 0.015 0.000 0.215 572 G C 1.835 176.873 174.900 0.229 0.000 1.188 572 G CA 0.822 46.211 45.100 0.481 0.000 0.783 572 G HN 0.198 nan 8.290 nan 0.000 0.537 573 K N 0.349 120.855 120.400 0.177 0.000 2.286 573 K HA -0.007 4.322 4.320 0.015 0.000 0.203 573 K C 2.426 179.083 176.600 0.094 0.000 1.045 573 K CA 1.403 57.756 56.287 0.109 0.000 0.935 573 K CB -0.251 32.301 32.500 0.088 0.000 0.737 573 K HN 0.468 nan 8.250 nan 0.000 0.460 574 K N -0.477 119.998 120.400 0.126 0.000 2.186 574 K HA 0.095 4.424 4.320 0.015 0.000 0.202 574 K C 2.068 178.724 176.600 0.093 0.000 1.052 574 K CA 0.673 57.020 56.287 0.100 0.000 0.965 574 K CB -0.136 32.432 32.500 0.112 0.000 0.746 574 K HN 0.038 nan 8.250 nan 0.000 0.457 575 L N 0.812 122.106 121.223 0.119 0.000 1.988 575 L HA -0.145 4.204 4.340 0.015 0.000 0.207 575 L C 2.050 178.960 176.870 0.066 0.000 1.071 575 L CA 1.459 56.351 54.840 0.086 0.000 0.744 575 L CB -0.504 41.574 42.059 0.031 0.000 0.893 575 L HN -0.132 nan 8.230 nan 0.000 0.433 576 V N 0.034 119.997 119.914 0.082 0.000 2.380 576 V HA -0.345 3.784 4.120 0.015 0.000 0.251 576 V C 2.694 178.775 176.094 -0.023 0.000 1.063 576 V CA 1.723 64.056 62.300 0.054 0.000 1.055 576 V CB -1.293 30.603 31.823 0.122 0.000 0.657 576 V HN 0.602 nan 8.190 nan 0.000 0.455 577 A N -0.280 122.533 122.820 -0.012 0.000 1.872 577 A HA -0.022 4.307 4.320 0.015 0.000 0.214 577 A C 2.424 179.992 177.584 -0.028 0.000 1.187 577 A CA 1.893 53.906 52.037 -0.039 0.000 0.614 577 A CB -0.782 18.209 19.000 -0.015 0.000 0.826 577 A HN 0.551 nan 8.150 nan 0.000 0.442 578 A N -0.704 122.117 122.820 0.001 0.000 1.873 578 A HA -0.052 4.277 4.320 0.015 0.000 0.215 578 A C 2.464 180.047 177.584 -0.003 0.000 1.186 578 A CA 2.058 54.098 52.037 0.005 0.000 0.616 578 A CB -0.937 18.078 19.000 0.025 0.000 0.823 578 A HN 0.428 nan 8.150 nan 0.000 0.442 579 S N -0.705 114.995 115.700 0.000 0.000 2.359 579 S HA -0.181 4.297 4.470 0.015 0.000 0.224 579 S C 2.247 176.832 174.600 -0.025 0.000 1.035 579 S CA 1.495 59.690 58.200 -0.008 0.000 1.018 579 S CB -0.383 62.812 63.200 -0.009 0.000 0.876 579 S HN 0.650 nan 8.310 nan 0.000 0.448 580 Q N 0.291 120.063 119.800 -0.047 0.000 2.152 580 Q HA -0.119 4.230 4.340 0.015 0.000 0.206 580 Q C 2.523 178.495 176.000 -0.045 0.000 0.985 580 Q CA 1.312 57.076 55.803 -0.065 0.000 0.863 580 Q CB -0.912 27.733 28.738 -0.155 0.000 0.904 580 Q HN 0.750 nan 8.270 nan 0.000 0.422 581 A N 0.068 122.864 122.820 -0.039 0.000 1.874 581 A HA 0.167 4.496 4.320 0.015 0.000 0.214 581 A C 2.399 179.971 177.584 -0.020 0.000 1.189 581 A CA 1.565 53.585 52.037 -0.029 0.000 0.615 581 A CB -0.999 17.986 19.000 -0.024 0.000 0.830 581 A HN 0.571 nan 8.150 nan 0.000 0.443 582 A N 0.302 123.113 122.820 -0.015 0.000 1.865 582 A HA -0.092 4.236 4.320 0.015 0.000 0.217 582 A C 1.884 179.459 177.584 -0.014 0.000 1.191 582 A CA 1.557 53.587 52.037 -0.010 0.000 0.623 582 A CB -0.853 18.145 19.000 -0.004 0.000 0.826 582 A HN 0.497 nan 8.150 nan 0.000 0.444 583 L N 0.014 121.227 121.223 -0.018 0.000 2.700 583 L HA 0.159 4.508 4.340 0.015 0.000 0.240 583 L C 1.424 178.275 176.870 -0.032 0.000 1.162 583 L CA 0.023 54.848 54.840 -0.024 0.000 0.874 583 L CB -1.943 40.100 42.059 -0.026 0.000 1.001 583 L HN 0.656 nan 8.230 nan 0.000 0.447 584 G N 0.000 108.784 108.800 -0.026 0.000 5.446 584 G HA2 0.000 3.969 3.960 0.015 0.000 0.244 584 G HA3 0.000 3.969 3.960 0.015 0.000 0.244 584 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925