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 3b9m_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 0.000 175.342 175.328 0.023 0.000 0.993 3 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 3 H CB 0.000 29.740 29.762 -0.037 0.000 1.292 4 K N 0.439 120.847 120.400 0.014 0.000 2.209 4 K HA 0.008 4.346 4.320 0.030 0.000 0.204 4 K C 0.182 176.834 176.600 0.086 0.000 1.048 4 K CA 1.299 57.604 56.287 0.030 0.000 0.940 4 K CB 0.295 32.783 32.500 -0.021 0.000 0.729 4 K HN 0.163 nan 8.250 nan 0.000 0.451 5 S N 0.375 116.157 115.700 0.135 0.000 2.746 5 S HA 0.136 4.624 4.470 0.030 0.000 0.273 5 S C 0.292 175.009 174.600 0.195 0.000 1.172 5 S CA -0.691 57.595 58.200 0.143 0.000 1.116 5 S CB 1.025 64.279 63.200 0.089 0.000 1.057 5 S HN 0.128 nan 8.310 nan 0.000 0.483 6 E N 2.012 122.327 120.200 0.192 0.000 2.086 6 E HA -0.186 4.182 4.350 0.030 0.000 0.200 6 E C 1.971 178.694 176.600 0.205 0.000 1.012 6 E CA 2.096 58.614 56.400 0.197 0.000 0.812 6 E CB -0.125 29.675 29.700 0.166 0.000 0.743 6 E HN 0.766 nan 8.360 nan 0.000 0.453 7 V N -1.152 118.884 119.914 0.203 0.000 2.427 7 V HA -0.137 4.001 4.120 0.030 0.000 0.248 7 V C 2.316 178.490 176.094 0.134 0.000 1.051 7 V CA 1.564 63.996 62.300 0.220 0.000 1.048 7 V CB -1.041 30.901 31.823 0.197 0.000 0.666 7 V HN 0.220 nan 8.190 nan 0.000 0.456 8 A N -0.135 122.734 122.820 0.081 0.000 1.908 8 A HA -0.273 4.065 4.320 0.030 0.000 0.218 8 A C 2.274 179.968 177.584 0.183 0.000 1.181 8 A CA 2.183 54.255 52.037 0.059 0.000 0.627 8 A CB -1.167 17.866 19.000 0.055 0.000 0.818 8 A HN 0.809 nan 8.150 nan 0.000 0.445 9 H N -0.254 118.861 119.070 0.075 0.000 2.270 9 H HA -0.117 4.457 4.556 0.030 0.000 0.299 9 H C 2.378 177.723 175.328 0.028 0.000 1.077 9 H CA 1.443 57.481 56.048 -0.016 0.000 1.294 9 H CB -0.001 29.631 29.762 -0.218 0.000 1.371 9 H HN 0.448 nan 8.280 nan 0.000 0.491 10 R N -0.446 120.095 120.500 0.069 0.000 2.159 10 R HA -0.164 4.194 4.340 0.030 0.000 0.237 10 R C 2.215 178.604 176.300 0.148 0.000 1.131 10 R CA 1.346 57.477 56.100 0.051 0.000 0.982 10 R CB -0.553 29.854 30.300 0.178 0.000 0.868 10 R HN 0.347 nan 8.270 nan 0.000 0.453 11 F N 2.283 122.194 119.950 -0.065 0.000 2.149 11 F HA -0.040 4.505 4.527 0.030 0.000 0.294 11 F C 2.140 177.846 175.800 -0.156 0.000 1.095 11 F CA 1.294 59.081 58.000 -0.355 0.000 1.276 11 F CB 0.058 38.644 39.000 -0.690 0.000 1.023 11 F HN -0.236 nan 8.300 nan 0.000 0.480 12 K N -0.103 120.373 120.400 0.127 0.000 2.032 12 K HA -0.215 4.123 4.320 0.030 0.000 0.209 12 K C 1.054 177.661 176.600 0.011 0.000 1.048 12 K CA 1.920 58.265 56.287 0.096 0.000 0.927 12 K CB -0.497 32.102 32.500 0.166 0.000 0.712 12 K HN 0.470 nan 8.250 nan 0.000 0.441 13 D N -0.853 119.552 120.400 0.008 0.000 2.388 13 D HA 0.008 4.666 4.640 0.030 0.000 0.221 13 D C 1.049 177.321 176.300 -0.047 0.000 1.133 13 D CA 0.037 54.029 54.000 -0.014 0.000 0.831 13 D CB 0.393 41.197 40.800 0.007 0.000 0.962 13 D HN -0.041 nan 8.370 nan 0.000 0.502 14 L N 0.198 121.373 121.223 -0.080 0.000 2.515 14 L HA 0.517 4.875 4.340 0.030 0.000 0.202 14 L C 1.091 177.886 176.870 -0.125 0.000 1.056 14 L CA 1.339 56.142 54.840 -0.062 0.000 0.847 14 L CB 0.074 42.140 42.059 0.013 0.000 1.131 14 L HN 0.367 nan 8.230 nan 0.000 0.484 15 G N -0.311 108.326 108.800 -0.271 0.000 2.650 15 G HA2 -0.172 3.806 3.960 0.030 0.000 0.686 15 G HA3 -0.172 3.806 3.960 0.030 0.000 0.686 15 G C 0.312 174.902 174.900 -0.517 0.000 1.205 15 G CA 0.052 44.947 45.100 -0.343 0.000 0.781 15 G HN 0.160 nan 8.290 nan 0.000 0.648 16 E N -0.145 119.698 120.200 -0.595 0.000 2.077 16 E HA -0.165 4.203 4.350 0.030 0.000 0.193 16 E C 2.138 178.697 176.600 -0.068 0.000 0.989 16 E CA 1.795 57.933 56.400 -0.436 0.000 0.800 16 E CB 0.003 29.658 29.700 -0.076 0.000 0.746 16 E HN 0.518 nan 8.360 nan 0.000 0.452 17 E N 0.858 121.024 120.200 -0.056 0.000 2.023 17 E HA -0.182 4.186 4.350 0.030 0.000 0.196 17 E C 1.865 178.476 176.600 0.019 0.000 1.003 17 E CA 0.998 57.401 56.400 0.004 0.000 0.809 17 E CB -0.582 29.112 29.700 -0.010 0.000 0.755 17 E HN 0.351 nan 8.360 nan 0.000 0.449 18 N N 0.382 119.073 118.700 -0.016 0.000 2.223 18 N HA -0.146 4.613 4.740 0.030 0.000 0.185 18 N C 1.780 177.319 175.510 0.049 0.000 1.016 18 N CA 0.553 53.600 53.050 -0.005 0.000 0.863 18 N CB -0.433 38.033 38.487 -0.035 0.000 0.983 18 N HN 0.111 nan 8.380 nan 0.000 0.429 19 F N 2.121 122.005 119.950 -0.109 0.000 2.134 19 F HA -0.121 4.424 4.527 0.030 0.000 0.299 19 F C 2.098 177.923 175.800 0.043 0.000 1.097 19 F CA 1.453 59.424 58.000 -0.049 0.000 1.264 19 F CB 0.061 38.991 39.000 -0.116 0.000 1.001 19 F HN -0.110 nan 8.300 nan 0.000 0.479 20 K N -0.114 120.398 120.400 0.187 0.000 2.103 20 K HA -0.011 4.327 4.320 0.030 0.000 0.204 20 K C 2.274 178.899 176.600 0.043 0.000 1.052 20 K CA 1.008 57.364 56.287 0.115 0.000 0.945 20 K CB -0.455 32.146 32.500 0.168 0.000 0.722 20 K HN 0.298 nan 8.250 nan 0.000 0.443 21 A N 1.260 124.105 122.820 0.041 0.000 1.898 21 A HA -0.109 4.229 4.320 0.030 0.000 0.216 21 A C 2.079 179.665 177.584 0.003 0.000 1.181 21 A CA 1.187 53.246 52.037 0.038 0.000 0.620 21 A CB -0.579 18.443 19.000 0.037 0.000 0.819 21 A HN 0.147 nan 8.150 nan 0.000 0.442 22 L N -0.710 120.485 121.223 -0.046 0.000 2.093 22 L HA -0.126 4.233 4.340 0.030 0.000 0.208 22 L C 2.500 179.298 176.870 -0.120 0.000 1.085 22 L CA 0.873 55.659 54.840 -0.089 0.000 0.755 22 L CB -0.441 41.545 42.059 -0.122 0.000 0.904 22 L HN 0.248 nan 8.230 nan 0.000 0.435 23 V N -0.084 119.733 119.914 -0.163 0.000 2.427 23 V HA -0.266 3.872 4.120 0.030 0.000 0.248 23 V C 2.343 178.489 176.094 0.087 0.000 1.051 23 V CA 1.371 63.613 62.300 -0.097 0.000 1.048 23 V CB -0.255 31.512 31.823 -0.094 0.000 0.666 23 V HN 0.311 nan 8.190 nan 0.000 0.456 24 L N 0.446 121.719 121.223 0.083 0.000 1.970 24 L HA -0.163 4.195 4.340 0.030 0.000 0.212 24 L C 2.205 179.115 176.870 0.067 0.000 1.071 24 L CA 2.107 57.016 54.840 0.114 0.000 0.751 24 L CB -0.704 41.416 42.059 0.101 0.000 0.889 24 L HN 0.249 nan 8.230 nan 0.000 0.432 25 I N -0.107 120.481 120.570 0.030 0.000 2.208 25 I HA -0.334 3.854 4.170 0.030 0.000 0.245 25 I C 2.627 178.737 176.117 -0.011 0.000 1.097 25 I CA 1.262 62.563 61.300 0.001 0.000 1.363 25 I CB -0.824 37.174 38.000 -0.003 0.000 1.051 25 I HN 0.432 nan 8.210 nan 0.000 0.413 26 A N 0.991 123.794 122.820 -0.029 0.000 1.865 26 A HA -0.213 4.126 4.320 0.030 0.000 0.217 26 A C 2.048 179.675 177.584 0.073 0.000 1.191 26 A CA 1.739 53.760 52.037 -0.026 0.000 0.623 26 A CB -1.046 17.870 19.000 -0.140 0.000 0.826 26 A HN 0.350 nan 8.150 nan 0.000 0.444 27 F N -0.042 120.011 119.950 0.171 0.000 2.407 27 F HA 0.081 4.626 4.527 0.031 0.000 0.299 27 F C 2.613 178.429 175.800 0.026 0.000 1.097 27 F CA 0.479 58.558 58.000 0.131 0.000 1.422 27 F CB -0.397 38.650 39.000 0.078 0.000 1.067 27 F HN 0.256 nan 8.300 nan 0.000 0.539 28 A N -0.606 122.195 122.820 -0.031 0.000 2.067 28 A HA -0.132 4.206 4.320 0.030 0.000 0.217 28 A C 2.035 179.582 177.584 -0.062 0.000 1.156 28 A CA 0.959 52.873 52.037 -0.204 0.000 0.683 28 A CB -0.488 18.419 19.000 -0.156 0.000 0.808 28 A HN 0.428 nan 8.150 nan 0.000 0.455 29 Q N -2.234 117.535 119.800 -0.053 0.000 2.389 29 Q HA -0.004 4.354 4.340 0.030 0.000 0.204 29 Q C 1.139 176.949 176.000 -0.316 0.000 0.944 29 Q CA 0.897 56.578 55.803 -0.203 0.000 0.908 29 Q CB -0.028 28.543 28.738 -0.280 0.000 1.002 29 Q HN 0.820 nan 8.270 nan 0.000 0.493 30 Y N -0.031 120.269 120.300 -0.000 0.000 2.269 30 Y HA 0.026 4.594 4.550 0.031 0.000 0.279 30 Y C 0.895 176.745 175.900 -0.083 0.000 1.118 30 Y CA 0.036 58.127 58.100 -0.016 0.000 1.145 30 Y CB 0.190 38.676 38.460 0.044 0.000 1.081 30 Y HN -0.059 nan 8.280 nan 0.000 0.501 31 L N 3.012 124.325 121.223 0.151 0.000 2.697 31 L HA 0.011 4.370 4.340 0.030 0.000 0.239 31 L C 0.837 177.916 176.870 0.349 0.000 1.430 31 L CA 0.670 55.506 54.840 -0.007 0.000 1.193 31 L CB -1.591 40.548 42.059 0.134 0.000 1.516 31 L HN 0.545 nan 8.230 nan 0.000 0.439 32 Q N -0.612 119.350 119.800 0.270 0.000 2.364 32 Q HA -0.154 4.204 4.340 0.030 0.000 0.209 32 Q C 1.227 177.429 176.000 0.337 0.000 0.977 32 Q CA 0.848 56.804 55.803 0.254 0.000 0.885 32 Q CB 0.148 28.955 28.738 0.115 0.000 0.941 32 Q HN 0.520 nan 8.270 nan 0.000 0.464 33 Q N -0.489 119.607 119.800 0.492 0.000 2.392 33 Q HA 0.075 4.433 4.340 0.030 0.000 0.203 33 Q C 0.392 176.550 176.000 0.264 0.000 0.917 33 Q CA 0.151 56.129 55.803 0.292 0.000 0.939 33 Q CB 0.270 29.040 28.738 0.053 0.000 1.063 33 Q HN 0.300 nan 8.270 nan 0.000 0.516 34 C N 2.752 122.268 119.300 0.360 0.000 2.520 34 C HA 0.357 4.835 4.460 0.030 0.000 0.376 34 C C -1.693 173.420 174.990 0.205 0.000 1.268 34 C CA -0.998 58.111 59.018 0.152 0.000 2.414 34 C CB 0.875 28.558 27.740 -0.095 0.000 2.521 34 C HN 0.290 nan 8.230 nan 0.000 0.618 35 P HA 0.132 nan 4.420 nan 0.000 0.278 35 P C 0.484 177.725 177.300 -0.097 0.000 1.258 35 P CA -0.224 62.923 63.100 0.080 0.000 0.811 35 P CB 0.498 32.211 31.700 0.021 0.000 1.063 36 F N 1.881 121.542 119.950 -0.481 0.000 2.065 36 F HA -0.255 4.290 4.527 0.030 0.000 0.298 36 F C 1.923 177.528 175.800 -0.325 0.000 1.112 36 F CA 2.172 59.736 58.000 -0.726 0.000 1.212 36 F CB -0.910 37.710 39.000 -0.632 0.000 0.975 36 F HN 0.275 nan 8.300 nan 0.000 0.476 37 E N 0.369 120.415 120.200 -0.256 0.000 2.097 37 E HA -0.248 4.121 4.350 0.030 0.000 0.196 37 E C 1.835 178.249 176.600 -0.311 0.000 1.000 37 E CA 1.796 58.016 56.400 -0.299 0.000 0.804 37 E CB -0.729 28.892 29.700 -0.132 0.000 0.740 37 E HN 0.446 nan 8.360 nan 0.000 0.454 38 D N -0.398 119.843 120.400 -0.264 0.000 2.106 38 D HA -0.167 4.491 4.640 0.030 0.000 0.191 38 D C 1.871 177.963 176.300 -0.348 0.000 0.997 38 D CA 1.276 55.103 54.000 -0.289 0.000 0.834 38 D CB -0.152 40.468 40.800 -0.299 0.000 0.956 38 D HN 0.290 nan 8.370 nan 0.000 0.448 39 H N -0.289 118.624 119.070 -0.261 0.000 2.321 39 H HA -0.037 4.537 4.556 0.030 0.000 0.300 39 H C 2.391 177.544 175.328 -0.291 0.000 1.087 39 H CA 0.869 56.778 56.048 -0.232 0.000 1.319 39 H CB -0.605 29.074 29.762 -0.139 0.000 1.379 39 H HN 0.037 nan 8.280 nan 0.000 0.501 40 V N 1.440 121.148 119.914 -0.344 0.000 2.439 40 V HA -0.292 3.846 4.120 0.030 0.000 0.253 40 V C 2.549 178.516 176.094 -0.211 0.000 1.074 40 V CA 1.949 64.040 62.300 -0.348 0.000 1.076 40 V CB -0.483 31.013 31.823 -0.545 0.000 0.664 40 V HN 0.234 nan 8.190 nan 0.000 0.461 41 K N 0.301 120.569 120.400 -0.220 0.000 1.991 41 K HA -0.159 4.179 4.320 0.030 0.000 0.212 41 K C 1.919 178.422 176.600 -0.160 0.000 1.049 41 K CA 1.784 57.965 56.287 -0.177 0.000 0.932 41 K CB -0.569 31.814 32.500 -0.194 0.000 0.717 41 K HN 0.412 nan 8.250 nan 0.000 0.441 42 L N -0.192 120.904 121.223 -0.211 0.000 1.989 42 L HA -0.236 4.122 4.340 0.030 0.000 0.211 42 L C 2.282 179.080 176.870 -0.119 0.000 1.071 42 L CA 1.395 56.073 54.840 -0.270 0.000 0.749 42 L CB -0.810 40.926 42.059 -0.538 0.000 0.890 42 L HN 0.023 nan 8.230 nan 0.000 0.431 43 V N 0.390 120.281 119.914 -0.039 0.000 2.250 43 V HA -0.351 3.787 4.120 0.030 0.000 0.250 43 V C 2.295 178.437 176.094 0.080 0.000 1.060 43 V CA 2.263 64.599 62.300 0.060 0.000 1.030 43 V CB -0.795 31.058 31.823 0.050 0.000 0.643 43 V HN 0.520 nan 8.190 nan 0.000 0.445 44 N N -0.259 118.454 118.700 0.022 0.000 2.188 44 N HA -0.146 4.612 4.740 0.030 0.000 0.184 44 N C 1.847 177.383 175.510 0.043 0.000 1.018 44 N CA 1.380 54.451 53.050 0.036 0.000 0.858 44 N CB -0.228 38.254 38.487 -0.008 0.000 0.989 44 N HN 0.635 nan 8.380 nan 0.000 0.426 45 E N 0.418 120.621 120.200 0.005 0.000 2.072 45 E HA -0.073 4.295 4.350 0.030 0.000 0.191 45 E C 1.950 178.609 176.600 0.098 0.000 0.985 45 E CA 0.727 57.134 56.400 0.011 0.000 0.801 45 E CB 0.136 29.798 29.700 -0.064 0.000 0.750 45 E HN 0.079 nan 8.360 nan 0.000 0.452 46 V N 0.858 120.848 119.914 0.127 0.000 2.379 46 V HA -0.186 3.952 4.120 0.030 0.000 0.245 46 V C 2.287 178.610 176.094 0.382 0.000 1.044 46 V CA 1.880 64.347 62.300 0.279 0.000 1.036 46 V CB -0.456 31.532 31.823 0.275 0.000 0.664 46 V HN 0.291 nan 8.190 nan 0.000 0.453 47 T N -0.591 114.169 114.554 0.343 0.000 2.788 47 T HA -0.193 4.175 4.350 0.030 0.000 0.268 47 T C 1.925 176.682 174.700 0.096 0.000 1.044 47 T CA 1.697 64.008 62.100 0.352 0.000 1.139 47 T CB -0.144 68.931 68.868 0.346 0.000 0.867 47 T HN 0.414 nan 8.240 nan 0.000 0.454 48 E N 0.619 120.875 120.200 0.094 0.000 2.106 48 E HA -0.047 4.321 4.350 0.030 0.000 0.192 48 E C 1.668 178.267 176.600 -0.001 0.000 0.984 48 E CA 0.752 57.166 56.400 0.023 0.000 0.806 48 E CB -0.427 29.299 29.700 0.044 0.000 0.750 48 E HN 0.508 nan 8.360 nan 0.000 0.458 49 F N 0.678 120.615 119.950 -0.021 0.000 2.113 49 F HA -0.033 4.512 4.527 0.030 0.000 0.297 49 F C 1.970 177.727 175.800 -0.072 0.000 1.103 49 F CA 1.639 59.623 58.000 -0.027 0.000 1.248 49 F CB -0.926 38.083 39.000 0.014 0.000 0.999 49 F HN 0.062 nan 8.300 nan 0.000 0.475 50 A N 1.038 123.584 122.820 -0.456 0.000 1.873 50 A HA -0.285 4.053 4.320 0.030 0.000 0.218 50 A C 2.279 179.378 177.584 -0.808 0.000 1.193 50 A CA 2.337 53.985 52.037 -0.648 0.000 0.629 50 A CB -0.979 17.756 19.000 -0.442 0.000 0.826 50 A HN 0.508 nan 8.150 nan 0.000 0.447 51 K N -0.988 118.937 120.400 -0.792 0.000 2.218 51 K HA -0.135 4.203 4.320 0.030 0.000 0.205 51 K C 2.014 178.346 176.600 -0.447 0.000 1.046 51 K CA 1.629 57.498 56.287 -0.698 0.000 0.933 51 K CB -0.471 31.755 32.500 -0.456 0.000 0.728 51 K HN 0.524 nan 8.250 nan 0.000 0.454 52 T N 0.752 115.058 114.554 -0.415 0.000 2.720 52 T HA -0.171 4.197 4.350 0.030 0.000 0.268 52 T C 2.049 176.567 174.700 -0.303 0.000 1.037 52 T CA 1.299 63.219 62.100 -0.300 0.000 1.144 52 T CB -0.300 68.403 68.868 -0.276 0.000 0.864 52 T HN 0.356 nan 8.240 nan 0.000 0.444 53 c N 0.804 119.140 118.600 -0.440 0.000 2.450 53 c HA 0.076 4.665 4.570 0.030 0.000 0.279 53 c C 2.808 176.766 174.090 -0.219 0.000 1.335 53 c CA -0.084 56.053 56.329 -0.320 0.000 1.749 53 c CB -1.035 41.240 42.510 -0.392 0.000 1.963 53 c HN 0.359 nan 8.230 nan 0.000 0.501 54 V N 1.412 121.157 119.914 -0.281 0.000 2.453 54 V HA -0.133 4.005 4.120 0.030 0.000 0.247 54 V C 2.695 178.713 176.094 -0.126 0.000 1.048 54 V CA 2.035 64.225 62.300 -0.184 0.000 1.049 54 V CB -1.167 30.509 31.823 -0.245 0.000 0.672 54 V HN 0.570 nan 8.190 nan 0.000 0.457 55 A N -0.754 121.976 122.820 -0.151 0.000 1.873 55 A HA -0.138 4.200 4.320 0.030 0.000 0.215 55 A C 1.301 178.840 177.584 -0.074 0.000 1.186 55 A CA 1.697 53.674 52.037 -0.100 0.000 0.616 55 A CB -0.119 18.819 19.000 -0.103 0.000 0.823 55 A HN 0.508 nan 8.150 nan 0.000 0.442 56 D N -1.329 119.021 120.400 -0.083 0.000 2.575 56 D HA 0.270 4.928 4.640 0.030 0.000 0.250 56 D C 0.311 176.578 176.300 -0.055 0.000 1.279 56 D CA -0.304 53.662 54.000 -0.056 0.000 0.925 56 D CB 1.044 41.818 40.800 -0.043 0.000 1.261 56 D HN 0.429 nan 8.370 nan 0.000 0.567 57 E N 0.764 120.941 120.200 -0.039 0.000 2.401 57 E HA -0.066 4.302 4.350 0.030 0.000 0.199 57 E C 0.751 177.347 176.600 -0.007 0.000 1.023 57 E CA 0.526 56.912 56.400 -0.023 0.000 0.859 57 E CB 0.153 29.843 29.700 -0.017 0.000 0.780 57 E HN 0.088 nan 8.360 nan 0.000 0.523 58 S N 0.298 115.992 115.700 -0.009 0.000 2.575 58 S HA 0.333 4.821 4.470 0.030 0.000 0.237 58 S C 0.407 175.015 174.600 0.014 0.000 0.975 58 S CA -0.235 57.969 58.200 0.007 0.000 0.960 58 S CB 0.584 63.786 63.200 0.002 0.000 0.822 58 S HN 0.363 nan 8.310 nan 0.000 0.472 59 A N 1.714 124.537 122.820 0.006 0.000 2.406 59 A HA 0.390 4.728 4.320 0.030 0.000 0.243 59 A C 0.431 178.058 177.584 0.071 0.000 1.082 59 A CA -0.331 51.718 52.037 0.019 0.000 0.786 59 A CB -0.001 18.990 19.000 -0.016 0.000 1.029 59 A HN 0.299 nan 8.150 nan 0.000 0.495 60 E N 1.517 121.769 120.200 0.085 0.000 2.868 60 E HA -0.089 4.279 4.350 0.030 0.000 0.246 60 E C 0.464 177.178 176.600 0.190 0.000 0.962 60 E CA 1.387 57.852 56.400 0.108 0.000 0.955 60 E CB -0.566 29.186 29.700 0.087 0.000 0.903 60 E HN 0.609 nan 8.360 nan 0.000 0.524 61 N N 2.267 121.056 118.700 0.149 0.000 2.909 61 N HA -0.257 4.502 4.740 0.030 0.000 0.242 61 N C 0.342 176.038 175.510 0.309 0.000 0.975 61 N CA 1.066 54.221 53.050 0.174 0.000 0.921 61 N CB -1.699 36.834 38.487 0.076 0.000 1.112 61 N HN 0.553 nan 8.380 nan 0.000 0.581 62 c N 0.688 119.448 118.600 0.267 0.000 2.446 62 c HA -0.089 4.500 4.570 0.030 0.000 0.279 62 c C 2.074 176.266 174.090 0.170 0.000 1.366 62 c CA 1.186 57.649 56.329 0.223 0.000 1.763 62 c CB -0.894 41.651 42.510 0.058 0.000 1.929 62 c HN 0.595 nan 8.230 nan 0.000 0.509 63 D N 0.609 121.088 120.400 0.132 0.000 2.363 63 D HA -0.050 4.608 4.640 0.030 0.000 0.220 63 D C 0.622 176.995 176.300 0.122 0.000 0.994 63 D CA 0.479 54.546 54.000 0.111 0.000 0.890 63 D CB -0.386 40.462 40.800 0.080 0.000 0.906 63 D HN 0.373 nan 8.370 nan 0.000 0.530 64 K N 0.983 121.467 120.400 0.141 0.000 2.295 64 K HA 0.199 4.538 4.320 0.030 0.000 0.270 64 K C 0.589 177.278 176.600 0.148 0.000 1.011 64 K CA -0.238 56.127 56.287 0.129 0.000 0.953 64 K CB 0.928 33.496 32.500 0.113 0.000 0.956 64 K HN 0.227 nan 8.250 nan 0.000 0.477 65 S N 1.792 117.575 115.700 0.138 0.000 2.584 65 S HA 0.071 4.559 4.470 0.030 0.000 0.270 65 S C 1.438 176.131 174.600 0.155 0.000 1.346 65 S CA -0.665 57.624 58.200 0.148 0.000 1.018 65 S CB 0.553 63.846 63.200 0.156 0.000 0.899 65 S HN 0.575 nan 8.310 nan 0.000 0.542 66 L N 0.504 121.800 121.223 0.122 0.000 2.005 66 L HA -0.119 4.239 4.340 0.030 0.000 0.207 66 L C 2.653 179.584 176.870 0.103 0.000 1.072 66 L CA 1.799 56.694 54.840 0.091 0.000 0.744 66 L CB -0.820 41.228 42.059 -0.017 0.000 0.895 66 L HN 0.853 nan 8.230 nan 0.000 0.433 67 H N -1.302 117.827 119.070 0.098 0.000 2.357 67 H HA -0.208 4.366 4.556 0.030 0.000 0.296 67 H C 2.293 177.713 175.328 0.153 0.000 1.108 67 H CA 2.093 58.188 56.048 0.078 0.000 1.273 67 H CB -0.070 29.720 29.762 0.047 0.000 1.367 67 H HN 0.266 nan 8.280 nan 0.000 0.498 68 T N 0.400 115.108 114.554 0.257 0.000 2.643 68 T HA -0.132 4.236 4.350 0.030 0.000 0.264 68 T C 2.171 176.970 174.700 0.164 0.000 1.045 68 T CA 1.239 63.454 62.100 0.191 0.000 1.155 68 T CB -0.356 68.599 68.868 0.145 0.000 0.863 68 T HN 0.171 nan 8.240 nan 0.000 0.420 69 L N -0.055 121.257 121.223 0.149 0.000 2.043 69 L HA -0.112 4.246 4.340 0.030 0.000 0.212 69 L C 2.262 179.202 176.870 0.117 0.000 1.075 69 L CA 1.552 56.451 54.840 0.097 0.000 0.752 69 L CB -0.597 41.542 42.059 0.133 0.000 0.891 69 L HN 0.235 nan 8.230 nan 0.000 0.432 70 F N 0.693 120.667 119.950 0.040 0.000 2.069 70 F HA -0.203 4.343 4.527 0.031 0.000 0.298 70 F C 2.276 178.060 175.800 -0.027 0.000 1.113 70 F CA 1.829 59.838 58.000 0.016 0.000 1.214 70 F CB -0.615 38.313 39.000 -0.120 0.000 0.978 70 F HN 0.003 nan 8.300 nan 0.000 0.474 71 G N -0.359 108.580 108.800 0.233 0.000 2.421 71 G HA2 -0.305 3.674 3.960 0.030 0.000 0.216 71 G HA3 -0.305 3.674 3.960 0.030 0.000 0.216 71 G C 1.182 176.106 174.900 0.040 0.000 1.171 71 G CA 1.180 46.357 45.100 0.128 0.000 0.775 71 G HN 0.372 nan 8.290 nan 0.000 0.543 72 D N 0.430 120.859 120.400 0.048 0.000 2.106 72 D HA -0.096 4.563 4.640 0.030 0.000 0.191 72 D C 2.397 178.648 176.300 -0.082 0.000 0.997 72 D CA 0.918 54.916 54.000 -0.003 0.000 0.834 72 D CB -0.045 40.739 40.800 -0.026 0.000 0.956 72 D HN 0.047 nan 8.370 nan 0.000 0.448 73 K N 0.068 120.382 120.400 -0.143 0.000 2.152 73 K HA -0.084 4.254 4.320 0.030 0.000 0.206 73 K C 2.003 178.429 176.600 -0.290 0.000 1.048 73 K CA 0.354 56.495 56.287 -0.242 0.000 0.933 73 K CB -0.503 31.817 32.500 -0.300 0.000 0.721 73 K HN 0.152 nan 8.250 nan 0.000 0.447 74 L N 0.383 121.424 121.223 -0.303 0.000 2.093 74 L HA -0.147 4.211 4.340 0.030 0.000 0.208 74 L C 1.793 178.581 176.870 -0.138 0.000 1.085 74 L CA 1.387 56.027 54.840 -0.333 0.000 0.755 74 L CB -0.426 41.246 42.059 -0.645 0.000 0.904 74 L HN 0.079 nan 8.230 nan 0.000 0.435 75 c N -1.139 117.442 118.600 -0.033 0.000 2.524 75 c HA 0.103 4.691 4.570 0.030 0.000 0.301 75 c C 2.193 176.281 174.090 -0.004 0.000 1.296 75 c CA 0.461 56.825 56.329 0.060 0.000 1.683 75 c CB -1.731 40.857 42.510 0.130 0.000 1.764 75 c HN 0.492 nan 8.230 nan 0.000 0.597 76 T N 0.083 114.597 114.554 -0.068 0.000 3.039 76 T HA 0.044 4.412 4.350 0.030 0.000 0.250 76 T C 0.884 175.538 174.700 -0.077 0.000 1.052 76 T CA 0.448 62.497 62.100 -0.086 0.000 1.125 76 T CB 0.119 68.902 68.868 -0.141 0.000 0.908 76 T HN 0.223 nan 8.240 nan 0.000 0.473 77 V N 2.770 122.636 119.914 -0.080 0.000 2.557 77 V HA 0.141 4.279 4.120 0.030 0.000 0.301 77 V C 1.647 177.737 176.094 -0.007 0.000 1.026 77 V CA 0.082 62.351 62.300 -0.051 0.000 1.137 77 V CB 0.188 31.999 31.823 -0.020 0.000 0.917 77 V HN 0.453 nan 8.190 nan 0.000 0.484 78 A N 4.910 127.719 122.820 -0.018 0.000 1.845 78 A HA -0.124 4.214 4.320 0.030 0.000 0.215 78 A C 2.041 179.633 177.584 0.013 0.000 1.195 78 A CA 2.005 54.038 52.037 -0.008 0.000 0.616 78 A CB -0.803 18.184 19.000 -0.022 0.000 0.832 78 A HN 0.931 nan 8.150 nan 0.000 0.443 79 T N -1.025 113.539 114.554 0.017 0.000 3.308 79 T HA 0.121 4.489 4.350 0.030 0.000 0.255 79 T C 1.339 176.083 174.700 0.074 0.000 1.162 79 T CA 0.722 62.834 62.100 0.020 0.000 1.031 79 T CB -0.329 68.535 68.868 -0.008 0.000 0.973 79 T HN 0.205 nan 8.240 nan 0.000 0.544 80 L N 2.016 123.319 121.223 0.133 0.000 1.971 80 L HA -0.061 4.297 4.340 0.030 0.000 0.215 80 L C 2.685 179.673 176.870 0.197 0.000 1.072 80 L CA 1.916 56.910 54.840 0.256 0.000 0.758 80 L CB -0.592 41.577 42.059 0.184 0.000 0.889 80 L HN 0.223 nan 8.230 nan 0.000 0.433 81 R N -0.183 120.378 120.500 0.103 0.000 2.152 81 R HA -0.180 4.178 4.340 0.030 0.000 0.232 81 R C 1.817 178.132 176.300 0.024 0.000 1.117 81 R CA 1.703 57.840 56.100 0.060 0.000 0.981 81 R CB -0.253 30.067 30.300 0.033 0.000 0.870 81 R HN 0.785 nan 8.270 nan 0.000 0.451 82 E N -2.082 118.119 120.200 0.001 0.000 2.481 82 E HA 0.070 4.439 4.350 0.030 0.000 0.198 82 E C 0.359 176.901 176.600 -0.096 0.000 1.027 82 E CA 0.466 56.844 56.400 -0.037 0.000 0.900 82 E CB 0.817 30.497 29.700 -0.033 0.000 0.993 82 E HN 0.154 nan 8.360 nan 0.000 0.482 83 T N -0.674 113.780 114.554 -0.167 0.000 3.028 83 T HA 0.087 4.455 4.350 0.030 0.000 0.250 83 T C 0.419 174.776 174.700 -0.573 0.000 0.979 83 T CA 0.089 61.938 62.100 -0.420 0.000 1.004 83 T CB -0.035 68.454 68.868 -0.631 0.000 1.120 83 T HN 0.178 nan 8.240 nan 0.000 0.482 84 Y N 1.196 121.525 120.300 0.049 0.000 2.481 84 Y HA 0.454 5.022 4.550 0.030 0.000 0.247 84 Y C 2.049 177.972 175.900 0.039 0.000 1.151 84 Y CA -0.531 57.609 58.100 0.068 0.000 1.238 84 Y CB -0.334 38.193 38.460 0.111 0.000 1.179 84 Y HN 0.297 nan 8.280 nan 0.000 0.524 85 G N 1.131 109.980 108.800 0.081 0.000 3.282 85 G HA2 -0.527 3.451 3.960 0.030 0.000 0.367 85 G HA3 -0.527 3.451 3.960 0.030 0.000 0.367 85 G C 1.500 176.402 174.900 0.004 0.000 1.377 85 G CA 1.610 46.730 45.100 0.035 0.000 1.254 85 G HN 0.423 nan 8.290 nan 0.000 0.717 86 E N -0.104 120.070 120.200 -0.043 0.000 2.072 86 E HA -0.013 4.355 4.350 0.030 0.000 0.191 86 E C 2.598 178.990 176.600 -0.347 0.000 0.985 86 E CA 1.085 57.361 56.400 -0.207 0.000 0.801 86 E CB -0.203 29.334 29.700 -0.272 0.000 0.750 86 E HN 0.574 nan 8.360 nan 0.000 0.452 87 M N 0.258 119.744 119.600 -0.190 0.000 2.192 87 M HA -0.225 4.274 4.480 0.030 0.000 0.259 87 M C 2.032 178.345 176.300 0.023 0.000 1.071 87 M CA 1.693 56.979 55.300 -0.025 0.000 1.082 87 M CB -0.059 32.713 32.600 0.287 0.000 1.373 87 M HN 0.131 nan 8.290 nan 0.000 0.408 88 A N -0.205 122.645 122.820 0.051 0.000 2.067 88 A HA -0.155 4.184 4.320 0.030 0.000 0.219 88 A C 1.583 179.148 177.584 -0.031 0.000 1.158 88 A CA 1.644 53.721 52.037 0.066 0.000 0.661 88 A CB -0.646 18.401 19.000 0.078 0.000 0.801 88 A HN 0.562 nan 8.150 nan 0.000 0.452 89 D N -0.630 119.707 120.400 -0.104 0.000 2.312 89 D HA -0.076 4.583 4.640 0.030 0.000 0.211 89 D C 1.685 177.893 176.300 -0.154 0.000 0.964 89 D CA 0.720 54.653 54.000 -0.111 0.000 0.877 89 D CB -0.250 40.481 40.800 -0.115 0.000 0.924 89 D HN 0.457 nan 8.370 nan 0.000 0.515 90 c N 0.273 118.709 118.600 -0.273 0.000 2.422 90 c HA -0.135 4.453 4.570 0.030 0.000 0.279 90 c C 2.828 176.704 174.090 -0.357 0.000 1.305 90 c CA 0.113 56.159 56.329 -0.472 0.000 1.757 90 c CB -0.951 40.834 42.510 -1.209 0.000 1.962 90 c HN 0.462 nan 8.230 nan 0.000 0.499 91 c N 1.008 119.498 118.600 -0.184 0.000 2.430 91 c HA 0.052 4.640 4.570 0.030 0.000 0.288 91 c C 2.417 176.499 174.090 -0.014 0.000 1.448 91 c CA 0.872 57.194 56.329 -0.010 0.000 1.784 91 c CB -1.862 40.695 42.510 0.078 0.000 1.776 91 c HN 0.700 nan 8.230 nan 0.000 0.547 92 A N -0.231 122.562 122.820 -0.045 0.000 2.411 92 A HA 0.273 4.611 4.320 0.030 0.000 0.251 92 A C 0.487 178.055 177.584 -0.025 0.000 1.317 92 A CA 0.179 52.201 52.037 -0.025 0.000 0.904 92 A CB -0.147 18.837 19.000 -0.026 0.000 0.993 92 A HN 0.667 nan 8.150 nan 0.000 0.504 93 K N 0.033 120.413 120.400 -0.033 0.000 2.350 93 K HA 0.440 4.778 4.320 0.030 0.000 0.241 93 K C -0.535 176.066 176.600 0.002 0.000 0.994 93 K CA -0.885 55.388 56.287 -0.024 0.000 0.839 93 K CB 1.047 33.518 32.500 -0.049 0.000 1.244 93 K HN 0.157 nan 8.250 nan 0.000 0.443 94 Q N 1.605 121.410 119.800 0.009 0.000 2.327 94 Q HA -0.018 4.340 4.340 0.030 0.000 0.254 94 Q C 0.682 176.702 176.000 0.035 0.000 0.952 94 Q CA 0.238 56.055 55.803 0.024 0.000 0.884 94 Q CB 1.445 30.195 28.738 0.020 0.000 1.224 94 Q HN 0.618 nan 8.270 nan 0.000 0.422 95 E N 3.732 123.965 120.200 0.055 0.000 2.119 95 E HA -0.241 4.127 4.350 0.030 0.000 0.221 95 E C -0.874 175.757 176.600 0.053 0.000 1.062 95 E CA 2.678 59.123 56.400 0.075 0.000 0.894 95 E CB -0.999 28.752 29.700 0.085 0.000 0.785 95 E HN 0.553 nan 8.360 nan 0.000 0.472 96 P HA -0.184 nan 4.420 nan 0.000 0.216 96 P C 0.792 178.097 177.300 0.008 0.000 1.154 96 P CA 2.035 65.139 63.100 0.008 0.000 0.865 96 P CB 0.001 31.705 31.700 0.007 0.000 0.789 97 E N -0.602 119.605 120.200 0.013 0.000 2.060 97 E HA -0.036 4.332 4.350 0.030 0.000 0.189 97 E C 2.340 178.943 176.600 0.005 0.000 0.974 97 E CA 0.499 56.904 56.400 0.009 0.000 0.808 97 E CB -0.907 28.793 29.700 0.001 0.000 0.768 97 E HN 0.125 nan 8.360 nan 0.000 0.453 98 R N 0.908 121.409 120.500 0.002 0.000 2.143 98 R HA -0.306 4.052 4.340 0.030 0.000 0.239 98 R C 2.135 178.471 176.300 0.059 0.000 1.126 98 R CA 2.198 58.278 56.100 -0.033 0.000 0.927 98 R CB -0.465 29.867 30.300 0.054 0.000 0.860 98 R HN 0.156 nan 8.270 nan 0.000 0.433 99 N N 0.032 118.836 118.700 0.175 0.000 2.137 99 N HA -0.233 4.525 4.740 0.030 0.000 0.190 99 N C 1.598 177.209 175.510 0.168 0.000 1.017 99 N CA 2.015 55.198 53.050 0.221 0.000 0.859 99 N CB -0.169 38.340 38.487 0.035 0.000 1.002 99 N HN 0.267 nan 8.380 nan 0.000 0.428 100 E N -0.394 119.859 120.200 0.089 0.000 2.107 100 E HA -0.066 4.302 4.350 0.030 0.000 0.191 100 E C 2.048 178.695 176.600 0.079 0.000 0.982 100 E CA 0.693 57.146 56.400 0.089 0.000 0.809 100 E CB -0.770 28.970 29.700 0.066 0.000 0.756 100 E HN 0.501 nan 8.360 nan 0.000 0.459 101 c N -0.450 118.176 118.600 0.043 0.000 2.450 101 c HA -0.014 4.574 4.570 0.030 0.000 0.279 101 c C 2.235 176.403 174.090 0.131 0.000 1.335 101 c CA 0.305 56.652 56.329 0.029 0.000 1.749 101 c CB -1.453 41.015 42.510 -0.069 0.000 1.963 101 c HN 0.399 nan 8.230 nan 0.000 0.501 102 F N 0.438 120.494 119.950 0.176 0.000 2.325 102 F HA 0.081 4.626 4.527 0.030 0.000 0.299 102 F C 1.976 177.959 175.800 0.305 0.000 1.090 102 F CA 0.898 59.036 58.000 0.229 0.000 1.392 102 F CB -0.618 38.459 39.000 0.127 0.000 1.053 102 F HN 0.132 nan 8.300 nan 0.000 0.521 103 L N -0.344 121.103 121.223 0.373 0.000 2.109 103 L HA -0.142 4.216 4.340 0.030 0.000 0.207 103 L C 2.277 179.234 176.870 0.146 0.000 1.086 103 L CA 1.668 56.662 54.840 0.258 0.000 0.760 103 L CB -1.077 41.039 42.059 0.096 0.000 0.910 103 L HN 0.173 nan 8.230 nan 0.000 0.437 104 Q N -1.279 118.542 119.800 0.035 0.000 2.123 104 Q HA -0.079 4.280 4.340 0.030 0.000 0.199 104 Q C 0.379 176.283 176.000 -0.160 0.000 0.966 104 Q CA 0.755 56.485 55.803 -0.123 0.000 0.845 104 Q CB -0.033 28.537 28.738 -0.279 0.000 0.907 104 Q HN 0.549 nan 8.270 nan 0.000 0.439 105 H N 1.092 120.265 119.070 0.172 0.000 2.640 105 H HA 0.299 4.874 4.556 0.031 0.000 0.220 105 H C -0.373 175.079 175.328 0.207 0.000 1.852 105 H CA 0.278 56.435 56.048 0.180 0.000 1.275 105 H CB -0.255 29.616 29.762 0.182 0.000 1.675 105 H HN 0.080 nan 8.280 nan 0.000 0.523 106 K N 1.052 121.570 120.400 0.198 0.000 2.443 106 K HA 0.239 4.577 4.320 0.030 0.000 0.251 106 K C -1.393 175.243 176.600 0.059 0.000 0.972 106 K CA -0.840 55.490 56.287 0.071 0.000 0.833 106 K CB 2.343 34.773 32.500 -0.117 0.000 1.317 106 K HN 0.113 nan 8.250 nan 0.000 0.441 107 D N 1.399 121.798 120.400 -0.002 0.000 2.349 107 D HA 0.086 4.744 4.640 0.030 0.000 0.232 107 D C 0.344 176.638 176.300 -0.010 0.000 1.071 107 D CA -0.217 53.803 54.000 0.033 0.000 0.832 107 D CB 1.673 42.506 40.800 0.055 0.000 1.086 107 D HN 0.615 nan 8.370 nan 0.000 0.504 108 D N 2.953 123.421 120.400 0.113 0.000 2.078 108 D HA -0.182 4.476 4.640 0.030 0.000 0.193 108 D C 0.053 176.379 176.300 0.042 0.000 0.990 108 D CA 1.050 55.159 54.000 0.181 0.000 0.827 108 D CB 0.176 41.110 40.800 0.224 0.000 0.975 108 D HN 0.230 nan 8.370 nan 0.000 0.451 109 N N 0.104 118.819 118.700 0.024 0.000 2.626 109 N HA 0.229 4.987 4.740 0.030 0.000 0.249 109 N C -2.612 172.894 175.510 -0.007 0.000 1.021 109 N CA -1.511 51.531 53.050 -0.014 0.000 0.886 109 N CB 1.584 40.064 38.487 -0.013 0.000 1.149 109 N HN 0.148 nan 8.380 nan 0.000 0.517 110 P HA 0.254 nan 4.420 nan 0.000 0.312 110 P C -0.871 176.427 177.300 -0.004 0.000 1.307 110 P CA -0.219 62.881 63.100 0.000 0.000 0.738 110 P CB 1.114 32.813 31.700 -0.002 0.000 1.422 111 N N -1.434 117.267 118.700 0.001 0.000 2.679 111 N HA 0.342 5.100 4.740 0.030 0.000 0.302 111 N C -0.758 174.750 175.510 -0.003 0.000 1.941 111 N CA -0.155 52.894 53.050 -0.002 0.000 0.875 111 N CB -0.151 38.337 38.487 0.002 0.000 1.278 111 N HN 0.178 nan 8.380 nan 0.000 0.490 112 L N 0.275 121.492 121.223 -0.009 0.000 2.375 112 L HA 0.680 5.039 4.340 0.030 0.000 0.268 112 L C -1.716 175.147 176.870 -0.012 0.000 1.058 112 L CA -1.850 52.983 54.840 -0.012 0.000 0.803 112 L CB 0.476 42.520 42.059 -0.025 0.000 1.212 112 L HN 0.073 nan 8.230 nan 0.000 0.451 113 P HA 0.208 nan 4.420 nan 0.000 0.274 113 P C -1.133 176.163 177.300 -0.006 0.000 1.246 113 P CA -0.823 62.273 63.100 -0.006 0.000 0.795 113 P CB 0.428 32.125 31.700 -0.004 0.000 1.006 114 R N 1.261 121.762 120.500 0.002 0.000 2.590 114 R HA 0.167 4.526 4.340 0.030 0.000 0.274 114 R C -0.651 175.657 176.300 0.013 0.000 1.061 114 R CA -0.495 55.611 56.100 0.010 0.000 1.081 114 R CB -0.134 30.175 30.300 0.016 0.000 0.984 114 R HN 0.229 nan 8.270 nan 0.000 0.448 115 L N 4.960 126.194 121.223 0.019 0.000 2.418 115 L HA 0.084 4.442 4.340 0.030 0.000 0.274 115 L C -0.364 176.541 176.870 0.058 0.000 1.135 115 L CA 0.030 54.891 54.840 0.035 0.000 0.870 115 L CB 1.335 43.419 42.059 0.041 0.000 1.154 115 L HN 0.581 nan 8.230 nan 0.000 0.462 116 V N 3.602 123.557 119.914 0.069 0.000 2.364 116 V HA 0.472 4.611 4.120 0.030 0.000 0.272 116 V C 0.527 176.683 176.094 0.103 0.000 1.036 116 V CA -1.019 61.324 62.300 0.072 0.000 0.880 116 V CB 0.801 32.658 31.823 0.056 0.000 0.991 116 V HN 0.784 nan 8.190 nan 0.000 0.460 117 R N 6.879 127.430 120.500 0.084 0.000 2.483 117 R HA 0.213 4.571 4.340 0.030 0.000 0.329 117 R C -1.700 174.659 176.300 0.097 0.000 0.961 117 R CA -0.829 55.321 56.100 0.084 0.000 1.041 117 R CB 0.400 30.740 30.300 0.067 0.000 0.930 117 R HN 0.782 nan 8.270 nan 0.000 0.413 118 P HA 0.057 nan 4.420 nan 0.000 0.293 118 P C -0.835 176.530 177.300 0.108 0.000 1.298 118 P CA -0.261 62.914 63.100 0.125 0.000 0.757 118 P CB 0.469 32.271 31.700 0.170 0.000 1.262 119 E N -0.429 119.829 120.200 0.096 0.000 2.338 119 E HA 0.057 4.425 4.350 0.030 0.000 0.272 119 E C 1.503 178.159 176.600 0.092 0.000 1.029 119 E CA -0.363 56.085 56.400 0.080 0.000 0.872 119 E CB 0.931 30.668 29.700 0.061 0.000 1.015 119 E HN 0.054 nan 8.360 nan 0.000 0.417 120 V N 3.443 123.406 119.914 0.083 0.000 2.363 120 V HA -0.344 3.794 4.120 0.030 0.000 0.254 120 V C 1.214 177.354 176.094 0.076 0.000 1.074 120 V CA 2.333 64.686 62.300 0.090 0.000 1.069 120 V CB -0.478 31.380 31.823 0.058 0.000 0.659 120 V HN 0.588 nan 8.190 nan 0.000 0.455 121 D N -0.207 120.226 120.400 0.056 0.000 2.077 121 D HA -0.156 4.502 4.640 0.030 0.000 0.196 121 D C 2.136 178.462 176.300 0.044 0.000 0.986 121 D CA 1.666 55.690 54.000 0.040 0.000 0.829 121 D CB -0.586 40.233 40.800 0.032 0.000 0.983 121 D HN 0.411 nan 8.370 nan 0.000 0.453 122 V N -0.327 119.623 119.914 0.059 0.000 2.407 122 V HA -0.249 3.889 4.120 0.030 0.000 0.248 122 V C 1.916 178.056 176.094 0.077 0.000 1.055 122 V CA 1.450 63.791 62.300 0.069 0.000 1.049 122 V CB -0.398 31.476 31.823 0.084 0.000 0.662 122 V HN 0.168 nan 8.190 nan 0.000 0.455 123 M N -0.526 119.135 119.600 0.102 0.000 2.066 123 M HA -0.182 4.317 4.480 0.030 0.000 0.259 123 M C 2.421 178.634 176.300 -0.145 0.000 1.074 123 M CA 2.840 58.201 55.300 0.102 0.000 1.114 123 M CB -0.548 32.192 32.600 0.232 0.000 1.306 123 M HN 0.553 nan 8.290 nan 0.000 0.411 124 c N 0.054 118.634 118.600 -0.033 0.000 2.401 124 c HA -0.176 4.412 4.570 0.030 0.000 0.276 124 c C 2.735 176.816 174.090 -0.015 0.000 1.233 124 c CA 1.599 57.908 56.329 -0.033 0.000 1.753 124 c CB -1.239 41.291 42.510 0.034 0.000 2.029 124 c HN 0.634 nan 8.230 nan 0.000 0.478 125 T N 1.152 115.701 114.554 -0.009 0.000 2.595 125 T HA -0.180 4.188 4.350 0.030 0.000 0.264 125 T C 2.154 176.851 174.700 -0.006 0.000 1.058 125 T CA 1.921 64.033 62.100 0.021 0.000 1.166 125 T CB -0.685 68.199 68.868 0.028 0.000 0.863 125 T HN 0.648 nan 8.240 nan 0.000 0.415 126 A N 1.376 124.158 122.820 -0.064 0.000 1.873 126 A HA -0.126 4.212 4.320 0.030 0.000 0.218 126 A C 2.075 179.463 177.584 -0.328 0.000 1.193 126 A CA 2.065 54.054 52.037 -0.081 0.000 0.629 126 A CB -1.239 17.823 19.000 0.103 0.000 0.826 126 A HN 0.522 nan 8.150 nan 0.000 0.447 127 F N 0.290 119.584 119.950 -1.094 0.000 2.120 127 F HA -0.286 4.259 4.527 0.031 0.000 0.300 127 F C 2.170 177.704 175.800 -0.443 0.000 1.095 127 F CA 2.616 59.820 58.000 -1.326 0.000 1.249 127 F CB -0.563 37.424 39.000 -1.689 0.000 0.995 127 F HN 0.522 nan 8.300 nan 0.000 0.480 128 H N 0.188 119.072 119.070 -0.309 0.000 2.270 128 H HA -0.126 4.448 4.556 0.030 0.000 0.299 128 H C 2.094 177.278 175.328 -0.239 0.000 1.077 128 H CA 2.345 58.249 56.048 -0.240 0.000 1.294 128 H CB -0.797 28.934 29.762 -0.050 0.000 1.371 128 H HN 0.237 nan 8.280 nan 0.000 0.491 129 D N 0.028 120.298 120.400 -0.216 0.000 2.156 129 D HA -0.196 4.462 4.640 0.030 0.000 0.190 129 D C 0.458 176.612 176.300 -0.243 0.000 0.998 129 D CA 1.401 55.266 54.000 -0.225 0.000 0.842 129 D CB -0.402 40.360 40.800 -0.063 0.000 0.974 129 D HN 0.287 nan 8.370 nan 0.000 0.447 130 N N 0.502 119.098 118.700 -0.172 0.000 2.851 130 N HA 0.016 4.774 4.740 0.030 0.000 0.248 130 N C 0.495 175.926 175.510 -0.131 0.000 1.221 130 N CA -0.064 52.913 53.050 -0.123 0.000 0.847 130 N CB 1.038 39.510 38.487 -0.026 0.000 1.150 130 N HN 0.104 nan 8.380 nan 0.000 0.507 131 E N 1.533 121.556 120.200 -0.294 0.000 2.013 131 E HA -0.229 4.139 4.350 0.030 0.000 0.202 131 E C 0.857 177.423 176.600 -0.056 0.000 1.018 131 E CA 1.386 57.559 56.400 -0.379 0.000 0.834 131 E CB 0.184 29.545 29.700 -0.566 0.000 0.770 131 E HN 0.548 nan 8.360 nan 0.000 0.459 132 E N -0.680 119.501 120.200 -0.032 0.000 2.095 132 E HA -0.293 4.075 4.350 0.030 0.000 0.212 132 E C 2.250 178.927 176.600 0.128 0.000 1.044 132 E CA 2.474 58.908 56.400 0.057 0.000 0.857 132 E CB -0.370 29.356 29.700 0.044 0.000 0.764 132 E HN 0.525 nan 8.360 nan 0.000 0.462 133 T N -0.763 113.872 114.554 0.136 0.000 2.720 133 T HA -0.227 4.141 4.350 0.030 0.000 0.268 133 T C 1.834 176.608 174.700 0.124 0.000 1.037 133 T CA 1.472 63.691 62.100 0.197 0.000 1.144 133 T CB -0.738 68.240 68.868 0.183 0.000 0.864 133 T HN 0.220 nan 8.240 nan 0.000 0.444 134 F N 1.922 121.870 119.950 -0.003 0.000 2.154 134 F HA -0.043 4.502 4.527 0.030 0.000 0.301 134 F C 1.861 177.722 175.800 0.102 0.000 1.087 134 F CA 1.223 59.238 58.000 0.026 0.000 1.274 134 F CB -0.247 38.739 39.000 -0.024 0.000 1.009 134 F HN 0.094 nan 8.300 nan 0.000 0.485 135 L N -0.116 121.173 121.223 0.111 0.000 2.130 135 L HA -0.067 4.291 4.340 0.030 0.000 0.200 135 L C 2.376 179.278 176.870 0.054 0.000 1.075 135 L CA 1.178 56.055 54.840 0.062 0.000 0.768 135 L CB -1.679 40.506 42.059 0.211 0.000 0.933 135 L HN 0.028 nan 8.230 nan 0.000 0.451 136 K N 0.870 121.347 120.400 0.128 0.000 2.074 136 K HA -0.223 4.115 4.320 0.030 0.000 0.209 136 K C 1.975 178.689 176.600 0.190 0.000 1.048 136 K CA 1.270 57.686 56.287 0.214 0.000 0.926 136 K CB -0.342 32.353 32.500 0.325 0.000 0.713 136 K HN 0.272 nan 8.250 nan 0.000 0.444 137 K N 0.030 120.314 120.400 -0.193 0.000 1.985 137 K HA -0.151 4.187 4.320 0.030 0.000 0.210 137 K C 2.157 178.591 176.600 -0.277 0.000 1.047 137 K CA 1.432 57.236 56.287 -0.806 0.000 0.932 137 K CB -0.248 31.464 32.500 -1.314 0.000 0.716 137 K HN 0.037 nan 8.250 nan 0.000 0.439 138 Y N 0.481 120.582 120.300 -0.333 0.000 2.497 138 Y HA -0.144 4.424 4.550 0.030 0.000 0.292 138 Y C 1.881 177.648 175.900 -0.220 0.000 1.137 138 Y CA 0.695 58.613 58.100 -0.304 0.000 1.285 138 Y CB 0.024 38.211 38.460 -0.455 0.000 0.991 138 Y HN 0.167 nan 8.280 nan 0.000 0.556 139 L N -1.055 120.178 121.223 0.017 0.000 2.156 139 L HA -0.162 4.196 4.340 0.030 0.000 0.208 139 L C 2.256 179.142 176.870 0.026 0.000 1.095 139 L CA 1.467 56.315 54.840 0.013 0.000 0.770 139 L CB -0.833 41.270 42.059 0.073 0.000 0.914 139 L HN 0.338 nan 8.230 nan 0.000 0.439 140 Y N 0.188 120.472 120.300 -0.027 0.000 2.163 140 Y HA -0.163 4.405 4.550 0.031 0.000 0.288 140 Y C 2.263 178.127 175.900 -0.061 0.000 1.136 140 Y CA 1.829 59.926 58.100 -0.005 0.000 1.147 140 Y CB -0.294 38.261 38.460 0.159 0.000 0.987 140 Y HN 0.221 nan 8.280 nan 0.000 0.509 141 E N 0.567 120.553 120.200 -0.357 0.000 2.153 141 E HA -0.164 4.204 4.350 0.030 0.000 0.194 141 E C 2.221 178.648 176.600 -0.288 0.000 0.988 141 E CA 1.327 57.471 56.400 -0.425 0.000 0.811 141 E CB -0.158 29.377 29.700 -0.275 0.000 0.746 141 E HN 0.540 nan 8.360 nan 0.000 0.466 142 I N 0.906 121.337 120.570 -0.233 0.000 2.193 142 I HA -0.134 4.055 4.170 0.030 0.000 0.240 142 I C 2.510 178.483 176.117 -0.241 0.000 1.084 142 I CA 0.909 62.045 61.300 -0.275 0.000 1.365 142 I CB -1.735 36.049 38.000 -0.360 0.000 1.064 142 I HN -0.076 nan 8.210 nan 0.000 0.410 143 A N 2.651 125.343 122.820 -0.213 0.000 1.869 143 A HA -0.266 4.073 4.320 0.030 0.000 0.218 143 A C 2.414 179.915 177.584 -0.138 0.000 1.203 143 A CA 2.696 54.643 52.037 -0.151 0.000 0.638 143 A CB -1.017 17.915 19.000 -0.114 0.000 0.831 143 A HN 0.560 nan 8.150 nan 0.000 0.450 144 R N -0.579 119.788 120.500 -0.222 0.000 2.261 144 R HA -0.127 4.231 4.340 0.030 0.000 0.236 144 R C 1.730 177.962 176.300 -0.114 0.000 1.141 144 R CA 1.706 57.690 56.100 -0.193 0.000 1.001 144 R CB -0.378 29.730 30.300 -0.319 0.000 0.866 144 R HN 0.557 nan 8.270 nan 0.000 0.468 145 R N -0.468 120.001 120.500 -0.052 0.000 2.237 145 R HA 0.097 4.455 4.340 0.030 0.000 0.195 145 R C -0.102 176.220 176.300 0.038 0.000 0.956 145 R CA 0.393 56.513 56.100 0.032 0.000 1.029 145 R CB 0.352 30.726 30.300 0.123 0.000 0.972 145 R HN 0.336 nan 8.270 nan 0.000 0.493 146 H N 0.302 119.304 119.070 -0.113 0.000 2.380 146 H HA 0.163 4.737 4.556 0.030 0.000 0.231 146 H C -1.930 173.366 175.328 -0.054 0.000 1.415 146 H CA -2.200 53.822 56.048 -0.042 0.000 1.433 146 H CB 1.010 30.738 29.762 -0.058 0.000 1.544 146 H HN -0.028 nan 8.280 nan 0.000 0.503 147 P HA -0.179 nan 4.420 nan 0.000 0.225 147 P C 0.310 177.374 177.300 -0.393 0.000 1.148 147 P CA 1.266 64.172 63.100 -0.323 0.000 0.779 147 P CB 0.360 31.743 31.700 -0.529 0.000 0.780 148 Y N -2.232 118.098 120.300 0.050 0.000 2.442 148 Y HA 0.274 4.842 4.550 0.031 0.000 0.250 148 Y C 1.143 177.129 175.900 0.143 0.000 1.113 148 Y CA -1.118 57.014 58.100 0.054 0.000 1.273 148 Y CB -0.662 37.809 38.460 0.019 0.000 1.138 148 Y HN -0.204 nan 8.280 nan 0.000 0.522 149 F N 1.336 121.389 119.950 0.172 0.000 2.602 149 F HA -0.028 4.517 4.527 0.030 0.000 0.385 149 F C 0.412 176.312 175.800 0.166 0.000 1.063 149 F CA -0.860 57.238 58.000 0.162 0.000 1.233 149 F CB 0.081 39.148 39.000 0.111 0.000 1.067 149 F HN 0.050 nan 8.300 nan 0.000 0.564 150 Y N 7.049 127.284 120.300 -0.108 0.000 2.802 150 Y HA 0.146 4.714 4.550 0.031 0.000 0.333 150 Y C 1.024 177.029 175.900 0.176 0.000 1.244 150 Y CA -0.095 58.002 58.100 -0.006 0.000 1.558 150 Y CB 0.402 38.796 38.460 -0.111 0.000 1.233 150 Y HN 0.795 nan 8.280 nan 0.000 0.547 151 A N 7.722 130.389 122.820 -0.256 0.000 1.859 151 A HA -0.210 4.128 4.320 0.030 0.000 0.218 151 A C -0.286 177.217 177.584 -0.136 0.000 1.209 151 A CA 2.088 54.026 52.037 -0.166 0.000 0.639 151 A CB -1.960 16.918 19.000 -0.203 0.000 0.835 151 A HN 0.730 nan 8.150 nan 0.000 0.450 152 P HA -0.193 nan 4.420 nan 0.000 0.216 152 P C 1.474 178.978 177.300 0.339 0.000 1.154 152 P CA 1.560 64.657 63.100 -0.006 0.000 0.865 152 P CB -0.084 31.581 31.700 -0.058 0.000 0.789 153 E N -0.850 119.496 120.200 0.243 0.000 2.110 153 E HA -0.168 4.200 4.350 0.030 0.000 0.193 153 E C 1.858 178.916 176.600 0.763 0.000 0.988 153 E CA 0.847 57.481 56.400 0.390 0.000 0.804 153 E CB -0.586 29.328 29.700 0.357 0.000 0.745 153 E HN 0.131 nan 8.360 nan 0.000 0.458 154 L N 0.876 122.529 121.223 0.717 0.000 2.141 154 L HA -0.156 4.203 4.340 0.030 0.000 0.209 154 L C 2.300 179.414 176.870 0.407 0.000 1.094 154 L CA 0.951 56.121 54.840 0.550 0.000 0.763 154 L CB -0.335 41.874 42.059 0.251 0.000 0.908 154 L HN 0.130 nan 8.230 nan 0.000 0.437 155 L N -1.578 119.849 121.223 0.340 0.000 2.093 155 L HA -0.118 4.240 4.340 0.030 0.000 0.208 155 L C 2.077 179.050 176.870 0.173 0.000 1.085 155 L CA 1.706 56.666 54.840 0.200 0.000 0.755 155 L CB -0.720 41.402 42.059 0.104 0.000 0.904 155 L HN 0.176 nan 8.230 nan 0.000 0.435 156 F N -1.244 118.748 119.950 0.071 0.000 2.234 156 F HA -0.146 4.399 4.527 0.031 0.000 0.299 156 F C 2.045 177.795 175.800 -0.084 0.000 1.087 156 F CA 1.408 59.359 58.000 -0.082 0.000 1.340 156 F CB -0.730 38.089 39.000 -0.302 0.000 1.031 156 F HN 0.033 nan 8.300 nan 0.000 0.500 157 F N -0.359 119.759 119.950 0.281 0.000 2.206 157 F HA -0.049 4.496 4.527 0.030 0.000 0.298 157 F C 2.418 178.385 175.800 0.278 0.000 1.090 157 F CA 0.874 59.014 58.000 0.233 0.000 1.323 157 F CB -1.041 38.104 39.000 0.243 0.000 1.028 157 F HN -0.075 nan 8.300 nan 0.000 0.492 158 A N 0.580 123.642 122.820 0.402 0.000 1.841 158 A HA -0.233 4.105 4.320 0.030 0.000 0.216 158 A C 2.238 179.979 177.584 0.261 0.000 1.199 158 A CA 1.870 54.094 52.037 0.312 0.000 0.621 158 A CB -0.765 18.350 19.000 0.192 0.000 0.835 158 A HN 0.289 nan 8.150 nan 0.000 0.445 159 K N -0.805 119.678 120.400 0.138 0.000 2.127 159 K HA -0.221 4.117 4.320 0.030 0.000 0.208 159 K C 2.348 179.003 176.600 0.092 0.000 1.047 159 K CA 1.826 58.157 56.287 0.072 0.000 0.927 159 K CB -0.217 32.244 32.500 -0.066 0.000 0.716 159 K HN 0.397 nan 8.250 nan 0.000 0.450 160 R N -0.288 120.257 120.500 0.075 0.000 2.062 160 R HA -0.113 4.245 4.340 0.030 0.000 0.231 160 R C 2.255 178.575 176.300 0.035 0.000 1.136 160 R CA 1.442 57.548 56.100 0.009 0.000 0.948 160 R CB -0.372 29.878 30.300 -0.083 0.000 0.845 160 R HN 0.174 nan 8.270 nan 0.000 0.430 161 Y N 1.170 121.522 120.300 0.087 0.000 2.139 161 Y HA -0.340 4.228 4.550 0.030 0.000 0.282 161 Y C 2.387 178.394 175.900 0.179 0.000 1.179 161 Y CA 1.989 60.139 58.100 0.084 0.000 1.161 161 Y CB -0.223 38.345 38.460 0.180 0.000 0.970 161 Y HN 0.044 nan 8.280 nan 0.000 0.511 162 K N -0.119 120.539 120.400 0.430 0.000 2.103 162 K HA -0.194 4.145 4.320 0.030 0.000 0.207 162 K C 2.198 178.961 176.600 0.271 0.000 1.048 162 K CA 1.325 57.885 56.287 0.454 0.000 0.930 162 K CB -0.302 32.412 32.500 0.357 0.000 0.716 162 K HN 0.250 nan 8.250 nan 0.000 0.444 163 A N 0.802 123.701 122.820 0.132 0.000 1.929 163 A HA 0.016 4.354 4.320 0.030 0.000 0.216 163 A C 2.324 179.881 177.584 -0.046 0.000 1.176 163 A CA 1.454 53.521 52.037 0.049 0.000 0.628 163 A CB -0.771 18.238 19.000 0.015 0.000 0.816 163 A HN 0.469 nan 8.150 nan 0.000 0.444 164 A N -0.564 122.171 122.820 -0.141 0.000 1.892 164 A HA -0.110 4.229 4.320 0.030 0.000 0.218 164 A C 1.933 179.276 177.584 -0.400 0.000 1.188 164 A CA 1.866 53.708 52.037 -0.325 0.000 0.631 164 A CB -0.795 17.893 19.000 -0.520 0.000 0.822 164 A HN 0.481 nan 8.150 nan 0.000 0.447 165 F N 0.191 119.994 119.950 -0.245 0.000 2.098 165 F HA -0.073 4.472 4.527 0.031 0.000 0.294 165 F C 2.794 178.332 175.800 -0.436 0.000 1.107 165 F CA 1.675 59.348 58.000 -0.545 0.000 1.234 165 F CB -1.304 36.919 39.000 -1.295 0.000 1.002 165 F HN 0.109 nan 8.300 nan 0.000 0.472 166 T N -0.391 114.116 114.554 -0.079 0.000 2.680 166 T HA -0.308 4.060 4.350 0.030 0.000 0.268 166 T C 1.844 176.570 174.700 0.044 0.000 1.033 166 T CA 1.998 64.154 62.100 0.092 0.000 1.152 166 T CB -0.365 68.597 68.868 0.157 0.000 0.859 166 T HN 0.383 nan 8.240 nan 0.000 0.452 167 E N -0.426 119.769 120.200 -0.008 0.000 2.021 167 E HA -0.094 4.274 4.350 0.030 0.000 0.189 167 E C 2.376 178.959 176.600 -0.028 0.000 0.980 167 E CA 1.091 57.482 56.400 -0.015 0.000 0.803 167 E CB -0.112 29.567 29.700 -0.035 0.000 0.766 167 E HN 0.482 nan 8.360 nan 0.000 0.449 168 c N 0.522 119.083 118.600 -0.064 0.000 2.457 168 c HA -0.059 4.529 4.570 0.030 0.000 0.278 168 c C 2.827 176.900 174.090 -0.029 0.000 1.309 168 c CA 0.153 56.447 56.329 -0.059 0.000 1.735 168 c CB -0.908 41.541 42.510 -0.102 0.000 1.992 168 c HN 0.633 nan 8.230 nan 0.000 0.493 169 c N -0.260 118.330 118.600 -0.018 0.000 2.419 169 c HA -0.089 4.499 4.570 0.030 0.000 0.283 169 c C 2.280 176.378 174.090 0.013 0.000 1.373 169 c CA 1.034 57.370 56.329 0.012 0.000 1.781 169 c CB -1.404 41.126 42.510 0.033 0.000 1.886 169 c HN 0.618 nan 8.230 nan 0.000 0.520 170 Q N 0.023 119.833 119.800 0.016 0.000 2.212 170 Q HA 0.459 4.817 4.340 0.030 0.000 0.213 170 Q C 0.444 176.446 176.000 0.003 0.000 0.874 170 Q CA -0.074 55.737 55.803 0.013 0.000 0.965 170 Q CB 0.087 28.844 28.738 0.031 0.000 1.074 170 Q HN 0.671 nan 8.270 nan 0.000 0.473 171 A N -1.085 121.733 122.820 -0.003 0.000 2.326 171 A HA 0.817 5.155 4.320 0.030 0.000 0.303 171 A C 0.656 178.236 177.584 -0.007 0.000 1.164 171 A CA 0.091 52.124 52.037 -0.006 0.000 0.929 171 A CB 0.321 19.314 19.000 -0.012 0.000 1.363 171 A HN 0.340 nan 8.150 nan 0.000 0.498 172 A N -0.682 122.134 122.820 -0.007 0.000 1.849 172 A HA 0.199 4.537 4.320 0.030 0.000 0.214 172 A C 0.811 178.392 177.584 -0.006 0.000 1.269 172 A CA 1.477 53.511 52.037 -0.006 0.000 0.605 172 A CB -0.594 18.403 19.000 -0.005 0.000 0.937 172 A HN 0.680 nan 8.150 nan 0.000 0.461 173 D N 0.102 120.498 120.400 -0.007 0.000 2.631 173 D HA 0.250 4.908 4.640 0.030 0.000 0.227 173 D C 0.962 177.257 176.300 -0.009 0.000 1.146 173 D CA -0.069 53.928 54.000 -0.006 0.000 1.009 173 D CB 0.021 40.818 40.800 -0.006 0.000 1.057 173 D HN 0.334 nan 8.370 nan 0.000 0.509 174 K N 1.063 121.458 120.400 -0.007 0.000 1.981 174 K HA -0.276 4.062 4.320 0.030 0.000 0.228 174 K C 2.009 178.600 176.600 -0.015 0.000 1.050 174 K CA 1.645 57.925 56.287 -0.010 0.000 1.001 174 K CB -0.480 32.019 32.500 -0.000 0.000 0.738 174 K HN 0.322 nan 8.250 nan 0.000 0.447 175 A N 1.601 124.418 122.820 -0.004 0.000 1.985 175 A HA -0.274 4.065 4.320 0.030 0.000 0.223 175 A C 2.392 179.967 177.584 -0.015 0.000 1.189 175 A CA 2.438 54.472 52.037 -0.005 0.000 0.658 175 A CB -1.035 17.969 19.000 0.007 0.000 0.820 175 A HN 0.517 nan 8.150 nan 0.000 0.464 176 A N -2.166 120.645 122.820 -0.014 0.000 2.172 176 A HA -0.031 4.307 4.320 0.030 0.000 0.216 176 A C 2.168 179.737 177.584 -0.025 0.000 1.154 176 A CA 1.621 53.649 52.037 -0.016 0.000 0.701 176 A CB -0.907 18.085 19.000 -0.012 0.000 0.789 176 A HN 0.917 nan 8.150 nan 0.000 0.465 177 c N -2.238 116.341 118.600 -0.035 0.000 2.464 177 c HA 0.337 4.925 4.570 0.030 0.000 0.348 177 c C 2.243 176.285 174.090 -0.079 0.000 1.367 177 c CA 0.723 57.022 56.329 -0.050 0.000 2.012 177 c CB -0.875 41.607 42.510 -0.046 0.000 2.434 177 c HN 0.543 nan 8.230 nan 0.000 0.536 178 L N 0.929 122.099 121.223 -0.088 0.000 2.068 178 L HA 0.185 4.543 4.340 0.030 0.000 0.204 178 L C 2.104 178.905 176.870 -0.116 0.000 1.076 178 L CA 1.893 56.647 54.840 -0.143 0.000 0.753 178 L CB -0.893 41.081 42.059 -0.143 0.000 0.910 178 L HN 0.198 nan 8.230 nan 0.000 0.439 179 L N 0.790 121.977 121.223 -0.059 0.000 2.012 179 L HA -0.088 4.270 4.340 0.030 0.000 0.210 179 L C -0.731 176.117 176.870 -0.037 0.000 1.073 179 L CA 2.065 56.886 54.840 -0.033 0.000 0.748 179 L CB -2.226 39.827 42.059 -0.010 0.000 0.891 179 L HN 0.321 nan 8.230 nan 0.000 0.431 180 P HA -0.010 nan 4.420 nan 0.000 0.253 180 P C 0.685 177.951 177.300 -0.056 0.000 1.508 180 P CA 0.760 63.840 63.100 -0.035 0.000 0.883 180 P CB 0.177 31.862 31.700 -0.025 0.000 1.519 181 K N -0.989 119.359 120.400 -0.087 0.000 2.485 181 K HA 0.242 4.580 4.320 0.030 0.000 0.200 181 K C 1.929 178.433 176.600 -0.161 0.000 1.352 181 K CA 0.017 56.223 56.287 -0.133 0.000 0.953 181 K CB 0.018 32.408 32.500 -0.183 0.000 1.387 181 K HN 0.011 nan 8.250 nan 0.000 0.512 182 L N 1.613 122.762 121.223 -0.124 0.000 2.093 182 L HA -0.171 4.187 4.340 0.030 0.000 0.208 182 L C 1.509 178.379 176.870 -0.000 0.000 1.085 182 L CA 1.217 56.030 54.840 -0.046 0.000 0.755 182 L CB -0.387 41.692 42.059 0.032 0.000 0.904 182 L HN 0.224 nan 8.230 nan 0.000 0.435 183 D N -0.160 120.236 120.400 -0.006 0.000 2.117 183 D HA -0.210 4.449 4.640 0.030 0.000 0.198 183 D C 1.975 178.278 176.300 0.004 0.000 0.982 183 D CA 1.104 55.111 54.000 0.012 0.000 0.828 183 D CB 0.030 40.836 40.800 0.009 0.000 0.967 183 D HN 0.405 nan 8.370 nan 0.000 0.464 184 E N 0.304 120.491 120.200 -0.022 0.000 2.031 184 E HA -0.171 4.197 4.350 0.030 0.000 0.193 184 E C 2.132 178.732 176.600 0.001 0.000 0.994 184 E CA 0.510 56.901 56.400 -0.014 0.000 0.800 184 E CB 0.027 29.706 29.700 -0.034 0.000 0.752 184 E HN 0.015 nan 8.360 nan 0.000 0.447 185 L N 1.511 122.689 121.223 -0.075 0.000 2.083 185 L HA -0.143 4.215 4.340 0.030 0.000 0.209 185 L C 2.522 179.425 176.870 0.055 0.000 1.083 185 L CA 1.575 56.360 54.840 -0.092 0.000 0.752 185 L CB -0.749 40.957 42.059 -0.588 0.000 0.899 185 L HN 0.100 nan 8.230 nan 0.000 0.433 186 R N -0.404 120.137 120.500 0.068 0.000 2.082 186 R HA -0.178 4.180 4.340 0.030 0.000 0.228 186 R C 1.917 178.259 176.300 0.069 0.000 1.140 186 R CA 2.009 58.169 56.100 0.099 0.000 0.920 186 R CB -0.441 29.915 30.300 0.093 0.000 0.828 186 R HN 0.267 nan 8.270 nan 0.000 0.430 187 D N 0.398 120.836 120.400 0.063 0.000 2.204 187 D HA -0.247 4.411 4.640 0.030 0.000 0.189 187 D C 1.766 178.130 176.300 0.106 0.000 1.006 187 D CA 1.870 55.910 54.000 0.066 0.000 0.855 187 D CB -0.361 40.464 40.800 0.041 0.000 0.946 187 D HN 0.407 nan 8.370 nan 0.000 0.448 188 E N -0.493 119.793 120.200 0.144 0.000 2.147 188 E HA -0.172 4.196 4.350 0.030 0.000 0.199 188 E C 2.103 178.866 176.600 0.272 0.000 1.005 188 E CA 1.306 57.855 56.400 0.250 0.000 0.810 188 E CB -0.287 29.599 29.700 0.310 0.000 0.736 188 E HN 0.373 nan 8.360 nan 0.000 0.460 189 G N 0.237 109.095 108.800 0.095 0.000 2.464 189 G HA2 -0.157 3.821 3.960 0.030 0.000 0.217 189 G HA3 -0.157 3.821 3.960 0.030 0.000 0.217 189 G C 1.419 176.307 174.900 -0.019 0.000 1.138 189 G CA 0.068 45.012 45.100 -0.260 0.000 0.793 189 G HN 0.071 nan 8.290 nan 0.000 0.539 190 K N 0.568 120.998 120.400 0.050 0.000 2.155 190 K HA 0.105 4.444 4.320 0.030 0.000 0.203 190 K C 2.823 179.509 176.600 0.143 0.000 1.052 190 K CA 0.880 57.233 56.287 0.111 0.000 0.948 190 K CB -0.042 32.513 32.500 0.092 0.000 0.728 190 K HN 0.266 nan 8.250 nan 0.000 0.448 191 A N 0.848 123.759 122.820 0.152 0.000 1.897 191 A HA -0.111 4.227 4.320 0.030 0.000 0.215 191 A C 2.263 179.947 177.584 0.166 0.000 1.181 191 A CA 1.672 53.810 52.037 0.167 0.000 0.620 191 A CB -0.555 18.578 19.000 0.222 0.000 0.821 191 A HN 0.228 nan 8.150 nan 0.000 0.443 192 S N -0.595 115.228 115.700 0.206 0.000 2.383 192 S HA -0.149 4.339 4.470 0.030 0.000 0.229 192 S C 2.327 176.997 174.600 0.117 0.000 1.030 192 S CA 1.881 60.191 58.200 0.183 0.000 1.002 192 S CB -0.392 62.989 63.200 0.301 0.000 0.829 192 S HN 0.617 nan 8.310 nan 0.000 0.467 193 S N 0.525 116.379 115.700 0.256 0.000 2.355 193 S HA 0.023 4.511 4.470 0.030 0.000 0.222 193 S C 2.076 176.770 174.600 0.157 0.000 1.031 193 S CA 1.329 59.713 58.200 0.306 0.000 0.993 193 S CB -0.655 62.839 63.200 0.491 0.000 0.859 193 S HN 0.661 nan 8.310 nan 0.000 0.453 194 A N 1.075 123.973 122.820 0.129 0.000 1.969 194 A HA -0.045 4.293 4.320 0.030 0.000 0.218 194 A C 2.094 179.702 177.584 0.040 0.000 1.169 194 A CA 1.747 53.829 52.037 0.075 0.000 0.635 194 A CB -0.579 18.463 19.000 0.070 0.000 0.810 194 A HN 0.621 nan 8.150 nan 0.000 0.445 195 K N 0.096 120.521 120.400 0.041 0.000 2.097 195 K HA -0.200 4.139 4.320 0.030 0.000 0.205 195 K C 2.214 178.804 176.600 -0.015 0.000 1.050 195 K CA 1.605 57.897 56.287 0.007 0.000 0.938 195 K CB -0.169 32.343 32.500 0.021 0.000 0.718 195 K HN 0.787 nan 8.250 nan 0.000 0.442 196 Q N -0.424 119.366 119.800 -0.016 0.000 2.331 196 Q HA -0.091 4.267 4.340 0.030 0.000 0.203 196 Q C 1.979 177.964 176.000 -0.026 0.000 0.944 196 Q CA 0.540 56.327 55.803 -0.028 0.000 0.892 196 Q CB -0.101 28.592 28.738 -0.075 0.000 0.983 196 Q HN 0.179 nan 8.270 nan 0.000 0.482 197 R N 0.537 121.029 120.500 -0.013 0.000 2.115 197 R HA -0.077 4.281 4.340 0.030 0.000 0.226 197 R C 2.029 178.305 176.300 -0.040 0.000 1.100 197 R CA 0.715 56.801 56.100 -0.023 0.000 0.980 197 R CB 0.006 30.311 30.300 0.008 0.000 0.875 197 R HN 0.337 nan 8.270 nan 0.000 0.445 198 L N 1.166 122.369 121.223 -0.035 0.000 2.068 198 L HA 0.010 4.369 4.340 0.030 0.000 0.204 198 L C 1.617 178.445 176.870 -0.069 0.000 1.076 198 L CA 1.736 56.550 54.840 -0.043 0.000 0.753 198 L CB -0.467 41.567 42.059 -0.042 0.000 0.910 198 L HN -0.018 nan 8.230 nan 0.000 0.439 199 K N -0.802 119.539 120.400 -0.098 0.000 2.127 199 K HA -0.237 4.101 4.320 0.030 0.000 0.208 199 K C 2.063 178.597 176.600 -0.109 0.000 1.047 199 K CA 1.925 58.127 56.287 -0.143 0.000 0.927 199 K CB -0.621 31.811 32.500 -0.113 0.000 0.716 199 K HN 0.470 nan 8.250 nan 0.000 0.450 200 c N 0.003 118.556 118.600 -0.078 0.000 2.467 200 c HA 0.057 4.645 4.570 0.030 0.000 0.279 200 c C 2.830 176.871 174.090 -0.083 0.000 1.347 200 c CA 0.436 56.713 56.329 -0.087 0.000 1.748 200 c CB -0.703 41.752 42.510 -0.092 0.000 1.977 200 c HN 0.522 nan 8.230 nan 0.000 0.501 201 A N 0.411 123.189 122.820 -0.069 0.000 2.015 201 A HA -0.097 4.241 4.320 0.030 0.000 0.219 201 A C 2.227 179.787 177.584 -0.040 0.000 1.163 201 A CA 1.994 53.992 52.037 -0.065 0.000 0.646 201 A CB -0.485 18.486 19.000 -0.048 0.000 0.806 201 A HN 0.541 nan 8.150 nan 0.000 0.448 202 S N -0.722 114.989 115.700 0.018 0.000 2.414 202 S HA -0.013 4.475 4.470 0.030 0.000 0.227 202 S C 1.661 176.342 174.600 0.135 0.000 1.022 202 S CA 0.858 59.164 58.200 0.177 0.000 0.958 202 S CB -0.205 63.059 63.200 0.106 0.000 0.797 202 S HN 0.413 nan 8.310 nan 0.000 0.493 203 L N 1.278 122.500 121.223 -0.002 0.000 2.201 203 L HA 0.034 4.392 4.340 0.030 0.000 0.212 203 L C 1.957 178.808 176.870 -0.033 0.000 1.105 203 L CA 1.620 56.432 54.840 -0.046 0.000 0.775 203 L CB -0.385 41.574 42.059 -0.166 0.000 0.913 203 L HN 0.101 nan 8.230 nan 0.000 0.440 204 Q N -1.008 118.758 119.800 -0.057 0.000 2.178 204 Q HA -0.038 4.320 4.340 0.030 0.000 0.195 204 Q C 2.194 178.125 176.000 -0.115 0.000 0.960 204 Q CA 1.227 56.984 55.803 -0.077 0.000 0.843 204 Q CB -0.160 28.525 28.738 -0.088 0.000 0.927 204 Q HN 0.338 nan 8.270 nan 0.000 0.487 205 K N -0.432 119.842 120.400 -0.211 0.000 1.985 205 K HA -0.098 4.240 4.320 0.030 0.000 0.210 205 K C 1.559 177.925 176.600 -0.391 0.000 1.047 205 K CA 1.372 57.422 56.287 -0.394 0.000 0.932 205 K CB -0.116 31.968 32.500 -0.692 0.000 0.716 205 K HN 0.104 nan 8.250 nan 0.000 0.439 206 F N 0.140 120.078 119.950 -0.019 0.000 2.367 206 F HA 0.195 4.742 4.527 0.033 0.000 0.298 206 F C 1.229 177.036 175.800 0.013 0.000 1.094 206 F CA 0.904 58.901 58.000 -0.004 0.000 1.409 206 F CB -0.127 38.869 39.000 -0.006 0.000 1.064 206 F HN 0.333 nan 8.300 nan 0.000 0.528 207 G N 0.073 108.969 108.800 0.161 0.000 2.629 207 G HA2 -0.190 3.788 3.960 0.030 0.000 0.686 207 G HA3 -0.190 3.788 3.960 0.030 0.000 0.686 207 G C 0.186 175.170 174.900 0.140 0.000 1.232 207 G CA -0.214 44.955 45.100 0.115 0.000 0.803 207 G HN 0.130 nan 8.290 nan 0.000 0.638 208 E N -0.043 120.218 120.200 0.101 0.000 2.049 208 E HA -0.180 4.188 4.350 0.030 0.000 0.198 208 E C 2.557 179.266 176.600 0.182 0.000 1.007 208 E CA 2.057 58.530 56.400 0.123 0.000 0.809 208 E CB -0.089 29.656 29.700 0.074 0.000 0.749 208 E HN 0.574 nan 8.360 nan 0.000 0.450 209 R N -0.063 120.518 120.500 0.135 0.000 2.097 209 R HA -0.226 4.133 4.340 0.030 0.000 0.236 209 R C 2.269 178.653 176.300 0.138 0.000 1.135 209 R CA 1.754 57.929 56.100 0.125 0.000 0.934 209 R CB -0.577 29.780 30.300 0.094 0.000 0.846 209 R HN 0.241 nan 8.270 nan 0.000 0.431 210 A N 0.501 123.404 122.820 0.138 0.000 1.927 210 A HA -0.251 4.087 4.320 0.030 0.000 0.220 210 A C 2.071 179.733 177.584 0.130 0.000 1.185 210 A CA 1.786 53.892 52.037 0.115 0.000 0.639 210 A CB -0.945 18.132 19.000 0.127 0.000 0.820 210 A HN 0.623 nan 8.150 nan 0.000 0.451 211 F N 0.463 120.452 119.950 0.065 0.000 2.113 211 F HA -0.100 4.446 4.527 0.032 0.000 0.297 211 F C 2.170 178.061 175.800 0.151 0.000 1.103 211 F CA 2.077 60.120 58.000 0.071 0.000 1.248 211 F CB -0.215 38.789 39.000 0.007 0.000 0.999 211 F HN 0.110 nan 8.300 nan 0.000 0.475 212 K N 0.365 120.873 120.400 0.181 0.000 2.063 212 K HA -0.205 4.133 4.320 0.030 0.000 0.208 212 K C 2.313 178.911 176.600 -0.004 0.000 1.048 212 K CA 1.286 57.630 56.287 0.095 0.000 0.928 212 K CB -0.642 31.952 32.500 0.157 0.000 0.713 212 K HN 0.391 nan 8.250 nan 0.000 0.442 213 A N 0.964 123.803 122.820 0.032 0.000 1.865 213 A HA -0.226 4.112 4.320 0.030 0.000 0.217 213 A C 1.926 179.482 177.584 -0.047 0.000 1.191 213 A CA 1.619 53.667 52.037 0.017 0.000 0.623 213 A CB -1.080 17.941 19.000 0.034 0.000 0.826 213 A HN 0.592 nan 8.150 nan 0.000 0.444 214 W N 0.480 121.625 121.300 -0.259 0.000 2.317 214 W HA -0.231 4.446 4.660 0.028 0.000 0.318 214 W C 2.506 178.823 176.519 -0.336 0.000 1.227 214 W CA 2.759 59.909 57.345 -0.325 0.000 1.269 214 W CB -0.333 28.859 29.460 -0.446 0.000 1.155 214 W HN 0.353 nan 8.180 nan 0.000 0.484 215 A N -0.771 121.830 122.820 -0.365 0.000 2.014 215 A HA -0.082 4.256 4.320 0.030 0.000 0.218 215 A C 1.909 179.334 177.584 -0.265 0.000 1.163 215 A CA 1.784 53.583 52.037 -0.396 0.000 0.652 215 A CB -0.964 17.891 19.000 -0.241 0.000 0.808 215 A HN 0.185 nan 8.150 nan 0.000 0.449 216 V N -0.303 119.516 119.914 -0.158 0.000 2.515 216 V HA -0.192 3.946 4.120 0.030 0.000 0.250 216 V C 2.922 178.969 176.094 -0.079 0.000 1.058 216 V CA 1.738 64.014 62.300 -0.039 0.000 1.064 216 V CB -1.147 30.718 31.823 0.070 0.000 0.675 216 V HN 0.586 nan 8.190 nan 0.000 0.461 217 A N 0.433 123.126 122.820 -0.211 0.000 1.854 217 A HA -0.176 4.162 4.320 0.030 0.000 0.214 217 A C 2.393 179.769 177.584 -0.346 0.000 1.192 217 A CA 1.717 53.602 52.037 -0.253 0.000 0.611 217 A CB -0.509 18.308 19.000 -0.306 0.000 0.832 217 A HN 0.443 nan 8.150 nan 0.000 0.442 218 R N -0.516 119.639 120.500 -0.575 0.000 2.148 218 R HA 0.038 4.396 4.340 0.030 0.000 0.227 218 R C 1.801 177.847 176.300 -0.425 0.000 1.103 218 R CA 1.054 56.795 56.100 -0.598 0.000 0.983 218 R CB -0.257 29.439 30.300 -1.006 0.000 0.874 218 R HN 0.514 nan 8.270 nan 0.000 0.451 219 L N -0.079 120.949 121.223 -0.325 0.000 2.162 219 L HA -0.045 4.314 4.340 0.030 0.000 0.205 219 L C 2.192 178.980 176.870 -0.137 0.000 1.086 219 L CA 1.378 56.078 54.840 -0.232 0.000 0.778 219 L CB -0.192 41.839 42.059 -0.047 0.000 0.928 219 L HN 0.349 nan 8.230 nan 0.000 0.446 220 S N -1.596 114.083 115.700 -0.035 0.000 2.489 220 S HA -0.171 4.317 4.470 0.030 0.000 0.228 220 S C 1.731 176.272 174.600 -0.097 0.000 0.995 220 S CA 0.363 58.598 58.200 0.058 0.000 0.934 220 S CB -0.006 63.313 63.200 0.199 0.000 0.771 220 S HN 0.401 nan 8.310 nan 0.000 0.522 221 Q N 0.926 120.622 119.800 -0.173 0.000 2.187 221 Q HA 0.091 4.449 4.340 0.030 0.000 0.199 221 Q C 2.394 178.260 176.000 -0.224 0.000 0.957 221 Q CA 0.624 56.310 55.803 -0.194 0.000 0.857 221 Q CB 0.046 28.658 28.738 -0.210 0.000 0.929 221 Q HN 0.565 nan 8.270 nan 0.000 0.453 222 R N -0.874 119.424 120.500 -0.336 0.000 2.052 222 R HA 0.009 4.367 4.340 0.030 0.000 0.224 222 R C -0.130 175.923 176.300 -0.412 0.000 1.149 222 R CA 0.666 56.466 56.100 -0.500 0.000 0.962 222 R CB 0.320 30.090 30.300 -0.883 0.000 0.856 222 R HN 0.050 nan 8.270 nan 0.000 0.433 223 F N 1.651 121.582 119.950 -0.031 0.000 2.318 223 F HA 0.333 4.879 4.527 0.032 0.000 0.356 223 F C -1.743 174.063 175.800 0.010 0.000 1.109 223 F CA -2.991 55.005 58.000 -0.007 0.000 1.234 223 F CB 1.505 40.513 39.000 0.014 0.000 1.545 223 F HN 0.034 nan 8.300 nan 0.000 0.534 224 P HA 0.017 nan 4.420 nan 0.000 0.253 224 P C 0.467 177.803 177.300 0.059 0.000 1.260 224 P CA 0.532 63.643 63.100 0.019 0.000 0.800 224 P CB 0.300 31.953 31.700 -0.080 0.000 1.162 225 K N -0.669 119.801 120.400 0.117 0.000 2.358 225 K HA 0.320 4.658 4.320 0.030 0.000 0.200 225 K C 0.873 177.551 176.600 0.131 0.000 1.030 225 K CA -0.249 56.096 56.287 0.097 0.000 1.097 225 K CB 0.807 33.342 32.500 0.058 0.000 0.862 225 K HN 0.045 nan 8.250 nan 0.000 0.534 226 A N 1.659 124.595 122.820 0.192 0.000 2.304 226 A HA 0.188 4.526 4.320 0.030 0.000 0.271 226 A C -0.175 177.534 177.584 0.209 0.000 1.091 226 A CA -0.297 51.839 52.037 0.165 0.000 0.812 226 A CB 0.367 19.469 19.000 0.170 0.000 1.056 226 A HN 0.163 nan 8.150 nan 0.000 0.489 227 E N -0.234 120.022 120.200 0.094 0.000 2.349 227 E HA 0.202 4.570 4.350 0.030 0.000 0.262 227 E C 0.207 176.726 176.600 -0.135 0.000 1.088 227 E CA -0.366 56.061 56.400 0.044 0.000 0.899 227 E CB 0.489 30.208 29.700 0.032 0.000 1.044 227 E HN 0.611 nan 8.360 nan 0.000 0.420 228 F N 2.133 121.777 119.950 -0.509 0.000 2.120 228 F HA -0.234 4.312 4.527 0.031 0.000 0.300 228 F C 1.944 177.572 175.800 -0.288 0.000 1.095 228 F CA 1.991 59.566 58.000 -0.708 0.000 1.249 228 F CB -0.431 38.212 39.000 -0.596 0.000 0.995 228 F HN 0.556 nan 8.300 nan 0.000 0.480 229 A N -0.428 122.236 122.820 -0.261 0.000 1.933 229 A HA -0.220 4.118 4.320 0.030 0.000 0.218 229 A C 2.080 179.535 177.584 -0.216 0.000 1.175 229 A CA 1.795 53.678 52.037 -0.256 0.000 0.628 229 A CB -0.858 18.092 19.000 -0.084 0.000 0.814 229 A HN 0.449 nan 8.150 nan 0.000 0.444 230 E N -0.185 119.935 120.200 -0.132 0.000 2.106 230 E HA -0.086 4.282 4.350 0.030 0.000 0.192 230 E C 1.793 178.360 176.600 -0.055 0.000 0.984 230 E CA 1.377 57.748 56.400 -0.048 0.000 0.806 230 E CB -0.297 29.404 29.700 0.001 0.000 0.750 230 E HN 0.260 nan 8.360 nan 0.000 0.458 231 V N -0.073 119.770 119.914 -0.118 0.000 2.323 231 V HA -0.205 3.933 4.120 0.030 0.000 0.244 231 V C 2.309 178.306 176.094 -0.162 0.000 1.041 231 V CA 1.779 64.039 62.300 -0.067 0.000 1.025 231 V CB -0.641 31.165 31.823 -0.028 0.000 0.656 231 V HN 0.240 nan 8.190 nan 0.000 0.451 232 S N -0.459 115.009 115.700 -0.386 0.000 2.374 232 S HA -0.274 4.214 4.470 0.030 0.000 0.227 232 S C 2.100 176.594 174.600 -0.175 0.000 1.037 232 S CA 1.677 59.668 58.200 -0.348 0.000 1.024 232 S CB -0.357 62.537 63.200 -0.511 0.000 0.861 232 S HN 0.432 nan 8.310 nan 0.000 0.456 233 K N 1.271 121.576 120.400 -0.160 0.000 2.001 233 K HA -0.093 4.245 4.320 0.030 0.000 0.214 233 K C 2.056 178.601 176.600 -0.091 0.000 1.050 233 K CA 1.418 57.626 56.287 -0.132 0.000 0.934 233 K CB -0.712 31.702 32.500 -0.142 0.000 0.718 233 K HN 0.364 nan 8.250 nan 0.000 0.443 234 L N 0.627 121.833 121.223 -0.028 0.000 2.012 234 L HA -0.205 4.153 4.340 0.030 0.000 0.210 234 L C 2.567 179.476 176.870 0.065 0.000 1.073 234 L CA 1.002 55.871 54.840 0.048 0.000 0.748 234 L CB -0.649 41.489 42.059 0.131 0.000 0.891 234 L HN -0.050 nan 8.230 nan 0.000 0.431 235 V N -0.493 119.445 119.914 0.041 0.000 2.392 235 V HA -0.316 3.822 4.120 0.030 0.000 0.249 235 V C 2.567 178.725 176.094 0.107 0.000 1.059 235 V CA 2.407 64.752 62.300 0.076 0.000 1.051 235 V CB -0.779 31.061 31.823 0.027 0.000 0.658 235 V HN 0.489 nan 8.190 nan 0.000 0.455 236 T N -0.545 114.034 114.554 0.040 0.000 2.701 236 T HA -0.163 4.205 4.350 0.030 0.000 0.263 236 T C 1.677 176.401 174.700 0.040 0.000 1.040 236 T CA 1.646 63.768 62.100 0.036 0.000 1.147 236 T CB -0.369 68.489 68.868 -0.016 0.000 0.865 236 T HN 0.478 nan 8.240 nan 0.000 0.426 237 D N 1.127 121.532 120.400 0.008 0.000 2.144 237 D HA -0.036 4.622 4.640 0.030 0.000 0.199 237 D C 2.049 178.387 176.300 0.065 0.000 0.984 237 D CA 0.418 54.420 54.000 0.005 0.000 0.834 237 D CB -0.390 40.385 40.800 -0.042 0.000 0.955 237 D HN 0.195 nan 8.370 nan 0.000 0.465 238 L N 0.872 122.172 121.223 0.129 0.000 2.056 238 L HA -0.153 4.205 4.340 0.030 0.000 0.207 238 L C 1.982 179.018 176.870 0.278 0.000 1.078 238 L CA 1.462 56.435 54.840 0.221 0.000 0.749 238 L CB -0.757 41.485 42.059 0.305 0.000 0.901 238 L HN 0.062 nan 8.230 nan 0.000 0.433 239 T N -0.162 114.565 114.554 0.289 0.000 2.684 239 T HA -0.245 4.124 4.350 0.030 0.000 0.267 239 T C 1.894 176.610 174.700 0.026 0.000 1.036 239 T CA 1.552 63.767 62.100 0.192 0.000 1.148 239 T CB -0.159 68.839 68.868 0.217 0.000 0.863 239 T HN 0.264 nan 8.240 nan 0.000 0.436 240 K N 0.995 121.416 120.400 0.034 0.000 2.020 240 K HA -0.142 4.196 4.320 0.030 0.000 0.212 240 K C 2.245 178.831 176.600 -0.025 0.000 1.050 240 K CA 1.490 57.774 56.287 -0.006 0.000 0.929 240 K CB -0.678 31.820 32.500 -0.004 0.000 0.714 240 K HN 0.213 nan 8.250 nan 0.000 0.443 241 V N 1.677 121.582 119.914 -0.016 0.000 2.220 241 V HA -0.319 3.819 4.120 0.030 0.000 0.250 241 V C 2.518 178.532 176.094 -0.133 0.000 1.056 241 V CA 2.264 64.520 62.300 -0.073 0.000 1.016 241 V CB -0.886 30.883 31.823 -0.089 0.000 0.639 241 V HN 0.466 nan 8.190 nan 0.000 0.446 242 H N -0.279 118.711 119.070 -0.134 0.000 2.387 242 H HA -0.147 4.428 4.556 0.031 0.000 0.299 242 H C 2.514 177.712 175.328 -0.216 0.000 1.099 242 H CA 2.097 58.013 56.048 -0.219 0.000 1.315 242 H CB -0.398 29.104 29.762 -0.433 0.000 1.380 242 H HN 0.436 nan 8.280 nan 0.000 0.513 243 T N 0.892 115.389 114.554 -0.094 0.000 2.746 243 T HA -0.110 4.258 4.350 0.030 0.000 0.267 243 T C 1.867 176.545 174.700 -0.037 0.000 1.039 243 T CA 1.203 63.249 62.100 -0.089 0.000 1.142 243 T CB 0.073 68.888 68.868 -0.088 0.000 0.866 243 T HN 0.487 nan 8.240 nan 0.000 0.444 244 E N 0.190 120.370 120.200 -0.033 0.000 2.051 244 E HA -0.050 4.319 4.350 0.030 0.000 0.189 244 E C 2.586 179.213 176.600 0.046 0.000 0.979 244 E CA 0.807 57.209 56.400 0.004 0.000 0.803 244 E CB -0.335 29.357 29.700 -0.013 0.000 0.761 244 E HN 0.460 nan 8.360 nan 0.000 0.451 245 c N 0.820 119.408 118.600 -0.021 0.000 2.411 245 c HA -0.126 4.462 4.570 0.030 0.000 0.279 245 c C 2.772 176.856 174.090 -0.010 0.000 1.288 245 c CA 0.234 56.543 56.329 -0.034 0.000 1.764 245 c CB -0.916 41.496 42.510 -0.163 0.000 1.974 245 c HN 0.521 nan 8.230 nan 0.000 0.498 246 c N -0.554 118.035 118.600 -0.018 0.000 2.539 246 c HA -0.051 4.537 4.570 0.030 0.000 0.271 246 c C 2.419 176.502 174.090 -0.012 0.000 1.412 246 c CA 0.431 56.739 56.329 -0.035 0.000 1.729 246 c CB -2.201 40.277 42.510 -0.054 0.000 1.739 246 c HN 0.703 nan 8.230 nan 0.000 0.570 247 H N -0.102 118.939 119.070 -0.047 0.000 2.535 247 H HA 0.122 4.697 4.556 0.030 0.000 0.273 247 H C 1.886 177.218 175.328 0.006 0.000 0.983 247 H CA 1.444 57.473 56.048 -0.031 0.000 1.238 247 H CB 0.274 30.024 29.762 -0.021 0.000 1.412 247 H HN 0.509 nan 8.280 nan 0.000 0.562 248 G N 0.839 109.631 108.800 -0.014 0.000 2.792 248 G HA2 -0.263 3.715 3.960 0.030 0.000 0.201 248 G HA3 -0.263 3.715 3.960 0.030 0.000 0.201 248 G C 0.044 175.017 174.900 0.122 0.000 1.322 248 G CA 0.075 45.197 45.100 0.036 0.000 0.910 248 G HN 0.471 nan 8.290 nan 0.000 0.535 249 D N 2.093 122.582 120.400 0.148 0.000 2.661 249 D HA 0.134 4.793 4.640 0.030 0.000 0.244 249 D C 1.739 178.137 176.300 0.164 0.000 1.196 249 D CA 0.407 54.519 54.000 0.187 0.000 0.881 249 D CB 0.883 41.822 40.800 0.232 0.000 1.141 249 D HN 0.365 nan 8.370 nan 0.000 0.530 250 L N 5.900 127.194 121.223 0.119 0.000 2.017 250 L HA -0.154 4.204 4.340 0.030 0.000 0.208 250 L C 1.912 178.837 176.870 0.090 0.000 1.073 250 L CA 1.548 56.451 54.840 0.105 0.000 0.745 250 L CB -0.569 41.497 42.059 0.011 0.000 0.894 250 L HN 0.573 nan 8.230 nan 0.000 0.432 251 L N -0.411 120.818 121.223 0.010 0.000 2.056 251 L HA -0.174 4.184 4.340 0.030 0.000 0.207 251 L C 2.615 179.533 176.870 0.079 0.000 1.078 251 L CA 1.753 56.585 54.840 -0.014 0.000 0.749 251 L CB -0.891 41.048 42.059 -0.200 0.000 0.901 251 L HN 0.508 nan 8.230 nan 0.000 0.433 252 E N 0.206 120.497 120.200 0.153 0.000 2.038 252 E HA -0.307 4.062 4.350 0.030 0.000 0.195 252 E C 2.427 179.082 176.600 0.092 0.000 1.000 252 E CA 1.967 58.449 56.400 0.136 0.000 0.803 252 E CB -0.187 29.597 29.700 0.141 0.000 0.750 252 E HN 0.502 nan 8.360 nan 0.000 0.448 253 c N 0.634 119.295 118.600 0.101 0.000 2.413 253 c HA -0.102 4.486 4.570 0.030 0.000 0.276 253 c C 2.950 177.088 174.090 0.079 0.000 1.248 253 c CA 1.560 57.929 56.329 0.066 0.000 1.742 253 c CB -1.313 41.250 42.510 0.087 0.000 2.017 253 c HN 0.621 nan 8.230 nan 0.000 0.481 254 A N 0.461 123.377 122.820 0.160 0.000 1.883 254 A HA -0.193 4.145 4.320 0.030 0.000 0.217 254 A C 1.926 179.571 177.584 0.101 0.000 1.186 254 A CA 2.285 54.432 52.037 0.182 0.000 0.624 254 A CB -0.758 18.332 19.000 0.150 0.000 0.822 254 A HN 0.715 nan 8.150 nan 0.000 0.444 255 D N -0.092 120.350 120.400 0.071 0.000 2.149 255 D HA -0.101 4.557 4.640 0.030 0.000 0.201 255 D C 1.227 177.555 176.300 0.048 0.000 0.972 255 D CA 1.235 55.268 54.000 0.056 0.000 0.835 255 D CB -0.433 40.400 40.800 0.056 0.000 0.966 255 D HN 0.355 nan 8.370 nan 0.000 0.476 256 D N 0.936 121.358 120.400 0.036 0.000 2.104 256 D HA -0.101 4.557 4.640 0.030 0.000 0.194 256 D C 2.208 178.517 176.300 0.015 0.000 0.994 256 D CA 0.765 54.776 54.000 0.018 0.000 0.830 256 D CB -0.103 40.694 40.800 -0.004 0.000 0.959 256 D HN 0.202 nan 8.370 nan 0.000 0.452 257 R N 0.608 121.110 120.500 0.004 0.000 2.081 257 R HA -0.026 4.332 4.340 0.030 0.000 0.235 257 R C 2.285 178.611 176.300 0.044 0.000 1.131 257 R CA 1.223 57.325 56.100 0.002 0.000 0.960 257 R CB -0.345 29.939 30.300 -0.026 0.000 0.856 257 R HN 0.110 nan 8.270 nan 0.000 0.436 258 A N 1.822 124.678 122.820 0.059 0.000 1.858 258 A HA -0.205 4.133 4.320 0.030 0.000 0.216 258 A C 1.708 179.332 177.584 0.067 0.000 1.190 258 A CA 1.739 53.815 52.037 0.066 0.000 0.617 258 A CB -0.513 18.522 19.000 0.058 0.000 0.827 258 A HN 0.176 nan 8.150 nan 0.000 0.443 259 D N -0.353 120.085 120.400 0.064 0.000 2.127 259 D HA -0.189 4.470 4.640 0.030 0.000 0.190 259 D C 1.884 178.242 176.300 0.096 0.000 1.000 259 D CA 1.733 55.777 54.000 0.073 0.000 0.839 259 D CB -0.601 40.235 40.800 0.059 0.000 0.955 259 D HN 0.299 nan 8.370 nan 0.000 0.446 260 L N 1.011 122.286 121.223 0.087 0.000 2.043 260 L HA -0.172 4.187 4.340 0.030 0.000 0.212 260 L C 2.191 179.143 176.870 0.138 0.000 1.075 260 L CA 2.064 56.976 54.840 0.120 0.000 0.752 260 L CB -0.706 41.404 42.059 0.085 0.000 0.891 260 L HN 0.000 nan 8.230 nan 0.000 0.432 261 A N -1.366 121.510 122.820 0.093 0.000 2.015 261 A HA -0.199 4.139 4.320 0.030 0.000 0.219 261 A C 2.375 179.990 177.584 0.051 0.000 1.163 261 A CA 1.648 53.727 52.037 0.071 0.000 0.646 261 A CB -0.467 18.572 19.000 0.066 0.000 0.806 261 A HN 0.487 nan 8.150 nan 0.000 0.448 262 K N -1.754 118.689 120.400 0.071 0.000 2.031 262 K HA -0.124 4.214 4.320 0.030 0.000 0.205 262 K C 1.941 178.561 176.600 0.035 0.000 1.049 262 K CA 1.520 57.839 56.287 0.054 0.000 0.939 262 K CB -0.337 32.208 32.500 0.076 0.000 0.717 262 K HN 0.593 nan 8.250 nan 0.000 0.438 263 Y N 1.696 121.996 120.300 0.000 0.000 2.181 263 Y HA -0.189 4.379 4.550 0.030 0.000 0.288 263 Y C 1.773 177.652 175.900 -0.034 0.000 1.146 263 Y CA 1.350 59.442 58.100 -0.012 0.000 1.164 263 Y CB -0.211 38.243 38.460 -0.010 0.000 0.982 263 Y HN -0.025 nan 8.280 nan 0.000 0.515 264 I N -1.151 119.301 120.570 -0.197 0.000 2.315 264 I HA -0.344 3.844 4.170 0.030 0.000 0.248 264 I C 2.251 178.205 176.117 -0.272 0.000 1.117 264 I CA 1.166 62.299 61.300 -0.279 0.000 1.404 264 I CB -0.498 37.442 38.000 -0.100 0.000 1.071 264 I HN 0.316 nan 8.210 nan 0.000 0.419 265 c N 0.305 118.805 118.600 -0.166 0.000 2.468 265 c HA -0.052 4.537 4.570 0.030 0.000 0.277 265 c C 2.128 176.131 174.090 -0.145 0.000 1.400 265 c CA 0.416 56.671 56.329 -0.124 0.000 1.770 265 c CB -1.064 41.413 42.510 -0.055 0.000 1.905 265 c HN 0.433 nan 8.230 nan 0.000 0.519 266 E N 0.645 120.729 120.200 -0.194 0.000 2.444 266 E HA 0.079 4.447 4.350 0.030 0.000 0.191 266 E C 0.156 176.603 176.600 -0.255 0.000 1.041 266 E CA 0.108 56.404 56.400 -0.174 0.000 0.883 266 E CB 0.022 29.649 29.700 -0.121 0.000 1.024 266 E HN 0.643 nan 8.360 nan 0.000 0.470 267 N N 0.498 118.991 118.700 -0.346 0.000 2.471 267 N HA 0.042 4.800 4.740 0.030 0.000 0.270 267 N C 0.457 175.798 175.510 -0.282 0.000 1.490 267 N CA 0.092 52.929 53.050 -0.356 0.000 0.850 267 N CB 0.793 38.902 38.487 -0.630 0.000 1.411 267 N HN 0.117 nan 8.380 nan 0.000 0.488 268 Q N 0.639 120.309 119.800 -0.217 0.000 2.061 268 Q HA -0.128 4.231 4.340 0.030 0.000 0.204 268 Q C 0.777 176.689 176.000 -0.146 0.000 0.984 268 Q CA 1.284 56.977 55.803 -0.184 0.000 0.846 268 Q CB 0.081 28.743 28.738 -0.126 0.000 0.902 268 Q HN 0.265 nan 8.270 nan 0.000 0.421 269 D N 0.137 120.470 120.400 -0.111 0.000 2.190 269 D HA -0.123 4.535 4.640 0.030 0.000 0.200 269 D C 1.728 177.982 176.300 -0.077 0.000 0.992 269 D CA 1.143 55.097 54.000 -0.077 0.000 0.854 269 D CB -0.107 40.657 40.800 -0.059 0.000 0.936 269 D HN 0.089 nan 8.370 nan 0.000 0.462 270 S N -1.102 114.535 115.700 -0.104 0.000 2.575 270 S HA 0.124 4.612 4.470 0.030 0.000 0.215 270 S C 1.642 176.176 174.600 -0.111 0.000 0.966 270 S CA -0.123 58.026 58.200 -0.085 0.000 0.911 270 S CB 0.300 63.453 63.200 -0.079 0.000 0.780 270 S HN 0.142 nan 8.310 nan 0.000 0.514 271 I N -1.178 119.282 120.570 -0.184 0.000 3.623 271 I HA 0.323 4.511 4.170 0.030 0.000 0.253 271 I C 0.664 176.625 176.117 -0.261 0.000 1.144 271 I CA -0.107 61.013 61.300 -0.300 0.000 1.461 271 I CB 0.519 38.190 38.000 -0.549 0.000 1.575 271 I HN 0.175 nan 8.210 nan 0.000 0.445 272 S N -0.702 114.855 115.700 -0.238 0.000 2.625 272 S HA 0.357 4.845 4.470 0.030 0.000 0.271 272 S C 0.202 174.777 174.600 -0.041 0.000 1.161 272 S CA 0.073 58.237 58.200 -0.059 0.000 0.820 272 S CB 1.527 64.768 63.200 0.068 0.000 1.137 272 S HN 0.245 nan 8.310 nan 0.000 0.470 273 S N 0.889 116.592 115.700 0.006 0.000 2.512 273 S HA 0.259 4.748 4.470 0.030 0.000 0.216 273 S C 0.800 175.405 174.600 0.007 0.000 1.006 273 S CA -0.356 57.841 58.200 -0.005 0.000 0.915 273 S CB -0.074 63.125 63.200 -0.002 0.000 0.824 273 S HN 0.561 nan 8.310 nan 0.000 0.497 274 K N 1.531 121.952 120.400 0.034 0.000 2.525 274 K HA 0.297 4.635 4.320 0.030 0.000 0.192 274 K C 0.955 177.580 176.600 0.041 0.000 1.029 274 K CA 0.226 56.539 56.287 0.043 0.000 1.029 274 K CB -0.415 32.128 32.500 0.072 0.000 0.814 274 K HN 0.471 nan 8.250 nan 0.000 0.503 275 L N 0.370 121.604 121.223 0.019 0.000 2.607 275 L HA 0.064 4.422 4.340 0.030 0.000 0.228 275 L C 2.242 179.111 176.870 -0.001 0.000 1.123 275 L CA -0.053 54.792 54.840 0.008 0.000 0.890 275 L CB -0.132 41.907 42.059 -0.033 0.000 1.103 275 L HN -0.013 nan 8.230 nan 0.000 0.468 276 K N 1.289 121.687 120.400 -0.003 0.000 2.015 276 K HA -0.254 4.085 4.320 0.030 0.000 0.220 276 K C 1.565 178.170 176.600 0.008 0.000 1.055 276 K CA 2.023 58.308 56.287 -0.003 0.000 0.951 276 K CB -0.050 32.449 32.500 -0.001 0.000 0.725 276 K HN 0.238 nan 8.250 nan 0.000 0.449 277 E N 0.867 121.076 120.200 0.016 0.000 2.007 277 E HA -0.214 4.154 4.350 0.030 0.000 0.203 277 E C 2.433 179.053 176.600 0.034 0.000 1.020 277 E CA 1.517 57.932 56.400 0.025 0.000 0.845 277 E CB -1.242 28.475 29.700 0.029 0.000 0.779 277 E HN 0.435 nan 8.360 nan 0.000 0.466 278 c N 0.926 119.550 118.600 0.041 0.000 2.382 278 c HA -0.234 4.355 4.570 0.030 0.000 0.274 278 c C 3.093 177.210 174.090 0.046 0.000 1.180 278 c CA 0.897 57.257 56.329 0.053 0.000 1.799 278 c CB -1.257 41.285 42.510 0.053 0.000 2.094 278 c HN 0.520 nan 8.230 nan 0.000 0.468 279 c N -0.145 118.470 118.600 0.025 0.000 2.432 279 c HA -0.073 4.516 4.570 0.030 0.000 0.282 279 c C 2.527 176.629 174.090 0.020 0.000 1.388 279 c CA 0.726 57.064 56.329 0.015 0.000 1.777 279 c CB -1.376 41.128 42.510 -0.010 0.000 1.882 279 c HN 0.638 nan 8.230 nan 0.000 0.520 280 E N 1.100 121.314 120.200 0.023 0.000 2.482 280 E HA -0.020 4.348 4.350 0.030 0.000 0.196 280 E C 0.477 177.097 176.600 0.034 0.000 1.047 280 E CA 0.466 56.880 56.400 0.024 0.000 0.869 280 E CB 0.161 29.873 29.700 0.020 0.000 0.836 280 E HN 0.631 nan 8.360 nan 0.000 0.520 281 K N 1.670 122.098 120.400 0.047 0.000 2.090 281 K HA 0.272 4.610 4.320 0.030 0.000 0.250 281 K C -2.283 174.352 176.600 0.058 0.000 1.004 281 K CA -1.731 54.591 56.287 0.059 0.000 0.919 281 K CB 0.686 33.238 32.500 0.087 0.000 1.045 281 K HN 0.031 nan 8.250 nan 0.000 0.471 282 P HA 0.001 nan 4.420 nan 0.000 0.277 282 P C 0.697 178.039 177.300 0.070 0.000 1.240 282 P CA -0.324 62.806 63.100 0.050 0.000 0.798 282 P CB 0.764 32.483 31.700 0.031 0.000 0.979 283 L N 2.301 123.558 121.223 0.057 0.000 2.186 283 L HA -0.262 4.096 4.340 0.030 0.000 0.221 283 L C 2.222 179.156 176.870 0.106 0.000 1.087 283 L CA 1.930 56.809 54.840 0.066 0.000 0.794 283 L CB -1.221 40.857 42.059 0.032 0.000 0.893 283 L HN 0.356 nan 8.230 nan 0.000 0.442 284 L N -0.876 120.417 121.223 0.116 0.000 2.027 284 L HA -0.176 4.182 4.340 0.030 0.000 0.206 284 L C 2.428 179.504 176.870 0.343 0.000 1.074 284 L CA 1.843 56.801 54.840 0.196 0.000 0.745 284 L CB -0.578 41.559 42.059 0.130 0.000 0.898 284 L HN 0.378 nan 8.230 nan 0.000 0.433 285 E N -0.869 119.520 120.200 0.315 0.000 2.046 285 E HA -0.202 4.166 4.350 0.030 0.000 0.190 285 E C 1.999 178.758 176.600 0.266 0.000 0.982 285 E CA 0.733 57.371 56.400 0.398 0.000 0.800 285 E CB -0.080 29.799 29.700 0.299 0.000 0.756 285 E HN 0.399 nan 8.360 nan 0.000 0.449 286 K N 0.791 121.296 120.400 0.175 0.000 1.987 286 K HA -0.289 4.049 4.320 0.030 0.000 0.232 286 K C 2.381 179.048 176.600 0.112 0.000 1.034 286 K CA 2.298 58.659 56.287 0.122 0.000 1.013 286 K CB -0.463 32.092 32.500 0.093 0.000 0.736 286 K HN -0.025 nan 8.250 nan 0.000 0.446 287 S N -0.275 115.490 115.700 0.109 0.000 2.378 287 S HA -0.276 4.212 4.470 0.030 0.000 0.229 287 S C 1.820 176.451 174.600 0.052 0.000 1.052 287 S CA 1.997 60.244 58.200 0.077 0.000 1.084 287 S CB -0.665 62.580 63.200 0.075 0.000 0.950 287 S HN 0.427 nan 8.310 nan 0.000 0.440 288 H N 0.492 119.538 119.070 -0.041 0.000 2.251 288 H HA -0.152 4.422 4.556 0.031 0.000 0.294 288 H C 2.582 177.869 175.328 -0.068 0.000 1.078 288 H CA 2.081 58.041 56.048 -0.148 0.000 1.246 288 H CB -1.031 28.470 29.762 -0.436 0.000 1.358 288 H HN 0.433 nan 8.280 nan 0.000 0.488 289 c N 0.249 118.876 118.600 0.044 0.000 2.376 289 c HA -0.217 4.371 4.570 0.030 0.000 0.275 289 c C 2.899 176.972 174.090 -0.027 0.000 1.200 289 c CA 1.651 57.996 56.329 0.027 0.000 1.756 289 c CB -1.487 41.096 42.510 0.121 0.000 2.050 289 c HN 0.707 nan 8.230 nan 0.000 0.460 290 I N 1.437 122.017 120.570 0.017 0.000 2.208 290 I HA -0.216 3.972 4.170 0.030 0.000 0.245 290 I C 2.767 178.899 176.117 0.026 0.000 1.097 290 I CA 1.859 63.190 61.300 0.051 0.000 1.363 290 I CB -0.643 37.408 38.000 0.085 0.000 1.051 290 I HN 0.451 nan 8.210 nan 0.000 0.413 291 A N -0.412 122.386 122.820 -0.037 0.000 2.178 291 A HA -0.186 4.152 4.320 0.030 0.000 0.218 291 A C 2.128 179.643 177.584 -0.116 0.000 1.157 291 A CA 1.530 53.529 52.037 -0.064 0.000 0.689 291 A CB -0.446 18.499 19.000 -0.091 0.000 0.787 291 A HN 0.506 nan 8.150 nan 0.000 0.465 292 E N -1.313 118.797 120.200 -0.150 0.000 2.511 292 E HA 0.191 4.559 4.350 0.030 0.000 0.209 292 E C 0.264 176.818 176.600 -0.078 0.000 0.986 292 E CA -0.295 56.019 56.400 -0.144 0.000 0.974 292 E CB 0.562 30.125 29.700 -0.228 0.000 1.030 292 E HN 0.293 nan 8.360 nan 0.000 0.490 293 V N 1.553 121.443 119.914 -0.040 0.000 3.178 293 V HA -0.073 4.065 4.120 0.030 0.000 0.306 293 V C 0.260 176.333 176.094 -0.035 0.000 1.107 293 V CA 0.494 62.791 62.300 -0.006 0.000 1.195 293 V CB 1.206 33.067 31.823 0.062 0.000 0.993 293 V HN 0.150 nan 8.190 nan 0.000 0.493 294 E N 3.076 123.261 120.200 -0.024 0.000 2.349 294 E HA 0.215 4.584 4.350 0.030 0.000 0.262 294 E C -0.333 176.235 176.600 -0.052 0.000 1.088 294 E CA -0.630 55.742 56.400 -0.048 0.000 0.899 294 E CB 0.482 30.160 29.700 -0.038 0.000 1.044 294 E HN 0.783 nan 8.360 nan 0.000 0.420 295 N N 2.356 121.004 118.700 -0.086 0.000 2.492 295 N HA -0.030 4.728 4.740 0.030 0.000 0.260 295 N C -0.381 175.105 175.510 -0.038 0.000 1.215 295 N CA 0.155 53.146 53.050 -0.099 0.000 0.923 295 N CB 0.445 38.859 38.487 -0.122 0.000 1.092 295 N HN 0.454 nan 8.380 nan 0.000 0.448 296 D N 0.758 121.162 120.400 0.007 0.000 2.377 296 D HA 0.051 4.710 4.640 0.030 0.000 0.245 296 D C -0.177 176.116 176.300 -0.012 0.000 1.196 296 D CA -0.102 53.916 54.000 0.030 0.000 0.962 296 D CB 0.821 41.675 40.800 0.090 0.000 1.127 296 D HN 0.358 nan 8.370 nan 0.000 0.471 297 E N 0.632 120.823 120.200 -0.015 0.000 2.349 297 E HA 0.249 4.617 4.350 0.030 0.000 0.265 297 E C 0.190 176.767 176.600 -0.039 0.000 1.064 297 E CA -0.428 55.950 56.400 -0.036 0.000 0.886 297 E CB 1.049 30.729 29.700 -0.033 0.000 1.036 297 E HN 0.445 nan 8.360 nan 0.000 0.413 298 M N -0.061 119.500 119.600 -0.065 0.000 2.283 298 M HA 0.310 4.808 4.480 0.030 0.000 0.314 298 M C -1.975 174.289 176.300 -0.061 0.000 1.153 298 M CA -1.601 53.655 55.300 -0.074 0.000 1.084 298 M CB 0.164 32.691 32.600 -0.122 0.000 1.468 298 M HN 0.024 nan 8.290 nan 0.000 0.474 299 P HA -0.224 nan 4.420 nan 0.000 0.218 299 P C 0.765 178.037 177.300 -0.047 0.000 1.154 299 P CA 3.167 66.242 63.100 -0.041 0.000 0.872 299 P CB 0.019 31.697 31.700 -0.037 0.000 0.790 300 A N -1.320 121.460 122.820 -0.065 0.000 1.760 300 A HA -0.288 4.051 4.320 0.030 0.000 0.219 300 A C 1.793 179.342 177.584 -0.059 0.000 0.582 300 A CA 1.614 53.613 52.037 -0.063 0.000 1.165 300 A CB -2.412 16.559 19.000 -0.048 0.000 1.428 300 A HN 0.406 nan 8.150 nan 0.000 0.712 301 D N 1.273 121.645 120.400 -0.046 0.000 2.097 301 D HA 0.020 4.678 4.640 0.030 0.000 0.197 301 D C 0.995 177.265 176.300 -0.050 0.000 0.984 301 D CA 1.067 55.043 54.000 -0.040 0.000 0.826 301 D CB -1.006 39.777 40.800 -0.028 0.000 0.973 301 D HN 1.011 nan 8.370 nan 0.000 0.460 302 L N 1.892 123.082 121.223 -0.056 0.000 4.393 302 L HA -0.185 4.174 4.340 0.030 0.000 0.539 302 L C -1.410 175.419 176.870 -0.067 0.000 1.009 302 L CA -0.620 54.179 54.840 -0.068 0.000 0.545 302 L CB -0.860 41.136 42.059 -0.106 0.000 0.724 302 L HN 0.079 nan 8.230 nan 0.000 1.058 303 P HA -0.010 nan 4.420 nan 0.000 0.316 303 P C -0.311 176.960 177.300 -0.048 0.000 1.413 303 P CA -0.136 62.940 63.100 -0.040 0.000 0.828 303 P CB 0.294 31.977 31.700 -0.027 0.000 1.787 304 S N -1.684 113.999 115.700 -0.027 0.000 2.547 304 S HA 0.276 4.764 4.470 0.030 0.000 0.281 304 S C 0.381 175.005 174.600 0.040 0.000 1.118 304 S CA -0.584 57.611 58.200 -0.008 0.000 0.947 304 S CB 0.168 63.367 63.200 -0.002 0.000 1.053 304 S HN 0.093 nan 8.310 nan 0.000 0.482 305 L N 3.720 125.012 121.223 0.116 0.000 2.661 305 L HA 0.054 4.412 4.340 0.030 0.000 0.236 305 L C 2.329 179.378 176.870 0.299 0.000 1.176 305 L CA 1.596 56.622 54.840 0.310 0.000 0.836 305 L CB -1.055 41.224 42.059 0.367 0.000 0.960 305 L HN 0.859 nan 8.230 nan 0.000 0.455 306 A N -1.119 121.702 122.820 0.003 0.000 2.169 306 A HA 0.221 4.560 4.320 0.030 0.000 0.212 306 A C 2.464 179.991 177.584 -0.095 0.000 1.153 306 A CA 0.927 52.851 52.037 -0.189 0.000 0.756 306 A CB -0.305 18.536 19.000 -0.265 0.000 0.813 306 A HN 0.343 nan 8.150 nan 0.000 0.471 307 A N 0.222 123.003 122.820 -0.065 0.000 1.897 307 A HA -0.088 4.250 4.320 0.030 0.000 0.215 307 A C 1.562 179.064 177.584 -0.137 0.000 1.181 307 A CA 1.628 53.615 52.037 -0.082 0.000 0.620 307 A CB -0.215 18.745 19.000 -0.066 0.000 0.821 307 A HN 0.415 nan 8.150 nan 0.000 0.443 308 D N -1.988 118.251 120.400 -0.269 0.000 2.367 308 D HA 0.140 4.799 4.640 0.030 0.000 0.207 308 D C 0.495 176.390 176.300 -0.675 0.000 1.034 308 D CA 0.489 54.172 54.000 -0.528 0.000 0.861 308 D CB 0.117 40.420 40.800 -0.828 0.000 0.943 308 D HN 0.483 nan 8.370 nan 0.000 0.515 309 F N -0.328 119.719 119.950 0.161 0.000 2.752 309 F HA 0.151 4.697 4.527 0.031 0.000 0.310 309 F C 1.750 177.658 175.800 0.181 0.000 1.097 309 F CA -0.057 58.092 58.000 0.248 0.000 1.238 309 F CB 0.399 39.532 39.000 0.221 0.000 1.061 309 F HN -0.228 nan 8.300 nan 0.000 0.591 310 V N -0.831 119.177 119.914 0.156 0.000 3.430 310 V HA 0.064 4.203 4.120 0.030 0.000 0.211 310 V C 1.630 177.773 176.094 0.082 0.000 1.173 310 V CA 0.299 62.692 62.300 0.156 0.000 1.310 310 V CB -0.313 31.470 31.823 -0.066 0.000 1.361 310 V HN -0.055 nan 8.190 nan 0.000 0.512 311 E N 1.081 121.241 120.200 -0.067 0.000 1.937 311 E HA -0.143 4.225 4.350 0.030 0.000 0.210 311 E C 0.999 177.467 176.600 -0.220 0.000 0.961 311 E CA 1.233 57.517 56.400 -0.195 0.000 0.883 311 E CB -0.459 29.204 29.700 -0.061 0.000 0.819 311 E HN 0.437 nan 8.360 nan 0.000 0.560 312 S N 0.994 116.633 115.700 -0.102 0.000 3.658 312 S HA -0.260 4.228 4.470 0.030 0.000 0.437 312 S C 0.049 174.616 174.600 -0.056 0.000 1.120 312 S CA 0.443 58.605 58.200 -0.065 0.000 0.854 312 S CB 0.040 63.209 63.200 -0.052 0.000 0.724 312 S HN 0.313 nan 8.310 nan 0.000 0.438 313 K N 2.741 123.124 120.400 -0.029 0.000 2.219 313 K HA 0.064 4.402 4.320 0.030 0.000 0.258 313 K C 0.143 176.746 176.600 0.005 0.000 1.008 313 K CA 0.361 56.644 56.287 -0.006 0.000 0.928 313 K CB 0.123 32.627 32.500 0.006 0.000 0.983 313 K HN 0.814 nan 8.250 nan 0.000 0.484 314 D N 0.888 121.297 120.400 0.016 0.000 2.947 314 D HA -0.162 4.496 4.640 0.030 0.000 0.224 314 D C 0.725 177.016 176.300 -0.014 0.000 1.132 314 D CA 0.499 54.501 54.000 0.003 0.000 0.801 314 D CB -1.231 39.566 40.800 -0.005 0.000 1.097 314 D HN 0.324 nan 8.370 nan 0.000 0.431 315 V N -0.284 119.645 119.914 0.025 0.000 2.283 315 V HA -0.246 3.892 4.120 0.030 0.000 0.243 315 V C 2.579 178.595 176.094 -0.131 0.000 1.039 315 V CA 2.163 64.471 62.300 0.013 0.000 1.016 315 V CB 0.007 31.901 31.823 0.118 0.000 0.650 315 V HN 0.581 nan 8.190 nan 0.000 0.449 316 c N -0.153 118.430 118.600 -0.027 0.000 2.422 316 c HA -0.106 4.482 4.570 0.030 0.000 0.279 316 c C 2.688 176.757 174.090 -0.035 0.000 1.305 316 c CA 1.169 57.488 56.329 -0.017 0.000 1.757 316 c CB -0.968 41.575 42.510 0.054 0.000 1.962 316 c HN 0.548 nan 8.230 nan 0.000 0.499 317 K N 1.337 121.706 120.400 -0.051 0.000 2.002 317 K HA -0.136 4.202 4.320 0.030 0.000 0.209 317 K C 1.594 178.125 176.600 -0.114 0.000 1.048 317 K CA 1.856 58.110 56.287 -0.054 0.000 0.930 317 K CB -0.403 32.078 32.500 -0.032 0.000 0.714 317 K HN 0.425 nan 8.250 nan 0.000 0.438 318 N N 0.083 118.666 118.700 -0.194 0.000 2.080 318 N HA -0.173 4.585 4.740 0.030 0.000 0.189 318 N C 1.631 176.858 175.510 -0.472 0.000 1.036 318 N CA 1.375 54.261 53.050 -0.275 0.000 0.846 318 N CB -0.582 37.746 38.487 -0.265 0.000 1.015 318 N HN 0.261 nan 8.380 nan 0.000 0.423 319 Y N 0.939 120.638 120.300 -1.002 0.000 2.256 319 Y HA -0.137 4.433 4.550 0.033 0.000 0.288 319 Y C 2.035 177.776 175.900 -0.264 0.000 1.155 319 Y CA 1.529 59.136 58.100 -0.823 0.000 1.203 319 Y CB -0.304 37.747 38.460 -0.681 0.000 0.980 319 Y HN 0.091 nan 8.280 nan 0.000 0.530 320 A N -0.276 122.417 122.820 -0.211 0.000 2.072 320 A HA -0.075 4.263 4.320 0.030 0.000 0.216 320 A C 2.110 179.595 177.584 -0.165 0.000 1.156 320 A CA 1.126 53.056 52.037 -0.179 0.000 0.701 320 A CB -0.682 18.299 19.000 -0.031 0.000 0.816 320 A HN 0.633 nan 8.150 nan 0.000 0.458 321 E N -0.147 119.971 120.200 -0.137 0.000 2.106 321 E HA 0.102 4.470 4.350 0.030 0.000 0.192 321 E C 0.444 177.000 176.600 -0.074 0.000 0.984 321 E CA 1.082 57.434 56.400 -0.080 0.000 0.806 321 E CB -0.057 29.614 29.700 -0.048 0.000 0.750 321 E HN 0.455 nan 8.360 nan 0.000 0.458 322 A N 0.225 122.985 122.820 -0.100 0.000 2.969 322 A HA 0.240 4.579 4.320 0.030 0.000 0.303 322 A C 0.110 177.634 177.584 -0.099 0.000 1.198 322 A CA -0.612 51.391 52.037 -0.056 0.000 0.819 322 A CB 0.506 19.527 19.000 0.035 0.000 1.385 322 A HN 0.086 nan 8.150 nan 0.000 0.479 323 K N 0.305 120.534 120.400 -0.285 0.000 2.059 323 K HA -0.218 4.120 4.320 0.030 0.000 0.212 323 K C 0.892 177.450 176.600 -0.071 0.000 1.050 323 K CA 2.221 58.207 56.287 -0.502 0.000 0.927 323 K CB 0.024 32.167 32.500 -0.596 0.000 0.714 323 K HN 0.647 nan 8.250 nan 0.000 0.447 324 D N 0.159 120.565 120.400 0.010 0.000 2.097 324 D HA -0.110 4.548 4.640 0.030 0.000 0.197 324 D C 2.000 178.411 176.300 0.185 0.000 0.984 324 D CA 0.935 54.999 54.000 0.106 0.000 0.826 324 D CB -0.329 40.521 40.800 0.084 0.000 0.973 324 D HN -0.059 nan 8.370 nan 0.000 0.460 325 V N 0.958 120.989 119.914 0.195 0.000 2.332 325 V HA -0.243 3.895 4.120 0.030 0.000 0.248 325 V C 2.139 178.395 176.094 0.270 0.000 1.055 325 V CA 1.272 63.743 62.300 0.285 0.000 1.038 325 V CB -0.596 31.385 31.823 0.263 0.000 0.651 325 V HN 0.062 nan 8.190 nan 0.000 0.450 326 F N 0.585 120.609 119.950 0.123 0.000 2.014 326 F HA -0.159 4.386 4.527 0.029 0.000 0.295 326 F C 2.164 178.123 175.800 0.264 0.000 1.145 326 F CA 1.702 59.820 58.000 0.198 0.000 1.178 326 F CB -0.572 38.574 39.000 0.243 0.000 0.972 326 F HN -0.022 nan 8.300 nan 0.000 0.476 327 L N -0.034 121.393 121.223 0.340 0.000 2.089 327 L HA -0.251 4.108 4.340 0.030 0.000 0.213 327 L C 2.701 179.665 176.870 0.157 0.000 1.079 327 L CA 1.436 56.420 54.840 0.240 0.000 0.758 327 L CB -1.598 40.618 42.059 0.261 0.000 0.891 327 L HN 0.412 nan 8.230 nan 0.000 0.433 328 G N -0.516 108.388 108.800 0.174 0.000 2.418 328 G HA2 -0.262 3.716 3.960 0.030 0.000 0.217 328 G HA3 -0.262 3.716 3.960 0.030 0.000 0.217 328 G C 1.605 176.558 174.900 0.088 0.000 1.158 328 G CA 0.654 45.894 45.100 0.232 0.000 0.771 328 G HN 0.245 nan 8.290 nan 0.000 0.545 329 M N -0.613 118.821 119.600 -0.277 0.000 2.374 329 M HA 0.088 4.586 4.480 0.030 0.000 0.264 329 M C 2.192 178.390 176.300 -0.170 0.000 1.067 329 M CA 0.779 55.745 55.300 -0.557 0.000 1.103 329 M CB -0.221 32.035 32.600 -0.574 0.000 1.402 329 M HN 0.296 nan 8.290 nan 0.000 0.444 330 F N 1.176 120.856 119.950 -0.450 0.000 2.098 330 F HA -0.135 4.405 4.527 0.023 0.000 0.294 330 F C 1.917 177.507 175.800 -0.350 0.000 1.107 330 F CA 1.460 58.985 58.000 -0.792 0.000 1.234 330 F CB -0.277 38.265 39.000 -0.763 0.000 1.002 330 F HN -0.082 nan 8.300 nan 0.000 0.472 331 L N -0.651 120.547 121.223 -0.040 0.000 2.012 331 L HA -0.288 4.070 4.340 0.030 0.000 0.210 331 L C 2.484 179.323 176.870 -0.052 0.000 1.073 331 L CA 2.058 56.859 54.840 -0.065 0.000 0.748 331 L CB -1.038 41.043 42.059 0.038 0.000 0.891 331 L HN 0.341 nan 8.230 nan 0.000 0.431 332 Y N 1.368 121.640 120.300 -0.048 0.000 2.014 332 Y HA -0.330 4.239 4.550 0.031 0.000 0.270 332 Y C 2.631 178.496 175.900 -0.058 0.000 1.145 332 Y CA 1.997 60.110 58.100 0.023 0.000 1.106 332 Y CB -0.409 38.160 38.460 0.181 0.000 0.968 332 Y HN 0.158 nan 8.280 nan 0.000 0.484 333 E N -0.843 119.185 120.200 -0.286 0.000 2.171 333 E HA -0.264 4.104 4.350 0.030 0.000 0.197 333 E C 2.085 178.442 176.600 -0.404 0.000 0.997 333 E CA 1.680 57.852 56.400 -0.380 0.000 0.810 333 E CB -0.812 28.849 29.700 -0.066 0.000 0.738 333 E HN 0.650 nan 8.360 nan 0.000 0.467 334 Y N 0.802 120.789 120.300 -0.521 0.000 2.243 334 Y HA 0.009 4.575 4.550 0.026 0.000 0.293 334 Y C 2.375 178.111 175.900 -0.273 0.000 1.124 334 Y CA 0.977 58.790 58.100 -0.479 0.000 1.159 334 Y CB -0.414 37.570 38.460 -0.794 0.000 1.008 334 Y HN 0.003 nan 8.280 nan 0.000 0.527 335 A N 0.985 123.778 122.820 -0.045 0.000 1.873 335 A HA -0.211 4.127 4.320 0.030 0.000 0.215 335 A C 2.196 179.692 177.584 -0.147 0.000 1.186 335 A CA 1.923 53.930 52.037 -0.051 0.000 0.616 335 A CB -0.731 18.204 19.000 -0.109 0.000 0.823 335 A HN 0.581 nan 8.150 nan 0.000 0.442 336 R N -0.274 120.063 120.500 -0.271 0.000 2.200 336 R HA -0.067 4.292 4.340 0.030 0.000 0.234 336 R C 1.413 177.533 176.300 -0.299 0.000 1.127 336 R CA 1.648 57.570 56.100 -0.296 0.000 0.989 336 R CB -0.360 29.682 30.300 -0.429 0.000 0.869 336 R HN 0.443 nan 8.270 nan 0.000 0.459 337 R N 0.030 120.308 120.500 -0.369 0.000 2.388 337 R HA 0.157 4.515 4.340 0.030 0.000 0.247 337 R C -0.310 175.523 176.300 -0.779 0.000 0.931 337 R CA -0.040 55.748 56.100 -0.520 0.000 1.082 337 R CB 0.404 30.346 30.300 -0.596 0.000 1.135 337 R HN 0.318 nan 8.270 nan 0.000 0.525 338 H N -0.508 118.384 119.070 -0.297 0.000 2.596 338 H HA 0.170 4.747 4.556 0.036 0.000 0.240 338 H C -2.287 172.880 175.328 -0.269 0.000 1.406 338 H CA -1.839 53.967 56.048 -0.403 0.000 1.504 338 H CB 1.653 31.045 29.762 -0.617 0.000 1.688 338 H HN -0.067 nan 8.280 nan 0.000 0.546 339 P HA -0.084 nan 4.420 nan 0.000 0.225 339 P C 1.332 178.602 177.300 -0.050 0.000 1.156 339 P CA 0.777 63.819 63.100 -0.096 0.000 0.787 339 P CB 0.407 32.040 31.700 -0.111 0.000 0.802 340 D N -2.219 118.144 120.400 -0.061 0.000 2.378 340 D HA -0.140 4.518 4.640 0.030 0.000 0.227 340 D C 0.046 176.436 176.300 0.150 0.000 1.012 340 D CA 0.570 54.572 54.000 0.002 0.000 0.905 340 D CB -0.502 40.282 40.800 -0.028 0.000 0.895 340 D HN 0.130 nan 8.370 nan 0.000 0.532 341 Y N 1.672 121.953 120.300 -0.032 0.000 2.352 341 Y HA 0.272 4.843 4.550 0.033 0.000 0.326 341 Y C 0.821 176.662 175.900 -0.099 0.000 1.166 341 Y CA -2.577 55.471 58.100 -0.086 0.000 1.182 341 Y CB 1.539 39.922 38.460 -0.129 0.000 1.216 341 Y HN -0.136 nan 8.280 nan 0.000 0.474 342 S N 0.915 116.627 115.700 0.019 0.000 2.481 342 S HA 0.197 4.686 4.470 0.030 0.000 0.276 342 S C 1.039 175.587 174.600 -0.087 0.000 1.247 342 S CA -0.701 57.474 58.200 -0.042 0.000 1.053 342 S CB 0.694 63.855 63.200 -0.065 0.000 0.925 342 S HN 0.485 nan 8.310 nan 0.000 0.491 343 V N 4.188 124.043 119.914 -0.098 0.000 2.236 343 V HA -0.253 3.885 4.120 0.030 0.000 0.255 343 V C 2.544 178.558 176.094 -0.134 0.000 1.068 343 V CA 2.418 64.617 62.300 -0.170 0.000 1.044 343 V CB -1.044 30.616 31.823 -0.272 0.000 0.653 343 V HN 0.875 nan 8.190 nan 0.000 0.448 344 V N -0.205 119.676 119.914 -0.055 0.000 2.568 344 V HA -0.201 3.937 4.120 0.030 0.000 0.253 344 V C 2.194 178.198 176.094 -0.149 0.000 1.072 344 V CA 2.386 64.647 62.300 -0.064 0.000 1.084 344 V CB -0.237 31.567 31.823 -0.032 0.000 0.676 344 V HN 0.570 nan 8.190 nan 0.000 0.469 345 L N -0.389 120.715 121.223 -0.198 0.000 2.156 345 L HA 0.014 4.372 4.340 0.030 0.000 0.208 345 L C 2.045 178.680 176.870 -0.391 0.000 1.095 345 L CA 1.897 56.551 54.840 -0.310 0.000 0.770 345 L CB -0.572 41.236 42.059 -0.419 0.000 0.914 345 L HN 0.317 nan 8.230 nan 0.000 0.439 346 L N -1.228 119.799 121.223 -0.328 0.000 2.291 346 L HA -0.107 4.251 4.340 0.030 0.000 0.214 346 L C 2.245 178.932 176.870 -0.306 0.000 1.120 346 L CA 0.671 55.294 54.840 -0.361 0.000 0.799 346 L CB -0.266 41.649 42.059 -0.240 0.000 0.925 346 L HN 0.318 nan 8.230 nan 0.000 0.446 347 L N -1.030 120.062 121.223 -0.218 0.000 2.270 347 L HA -0.079 4.280 4.340 0.030 0.000 0.210 347 L C 2.658 179.427 176.870 -0.169 0.000 1.104 347 L CA 0.536 55.285 54.840 -0.151 0.000 0.804 347 L CB -0.351 41.649 42.059 -0.099 0.000 0.937 347 L HN 0.191 nan 8.230 nan 0.000 0.450 348 R N 0.717 121.088 120.500 -0.216 0.000 2.066 348 R HA -0.111 4.247 4.340 0.030 0.000 0.232 348 R C 2.337 178.479 176.300 -0.264 0.000 1.131 348 R CA 1.254 57.230 56.100 -0.206 0.000 0.955 348 R CB -0.144 30.029 30.300 -0.213 0.000 0.851 348 R HN 0.252 nan 8.270 nan 0.000 0.432 349 L N 0.136 121.089 121.223 -0.449 0.000 1.989 349 L HA -0.196 4.162 4.340 0.030 0.000 0.211 349 L C 2.703 179.299 176.870 -0.456 0.000 1.071 349 L CA 1.585 55.977 54.840 -0.747 0.000 0.749 349 L CB -0.686 40.618 42.059 -1.259 0.000 0.890 349 L HN 0.343 nan 8.230 nan 0.000 0.431 350 A N 0.007 122.687 122.820 -0.233 0.000 1.930 350 A HA -0.234 4.104 4.320 0.030 0.000 0.217 350 A C 2.288 179.826 177.584 -0.077 0.000 1.175 350 A CA 1.866 53.871 52.037 -0.054 0.000 0.627 350 A CB -0.390 18.650 19.000 0.067 0.000 0.815 350 A HN 0.233 nan 8.150 nan 0.000 0.443 351 K N -0.152 120.201 120.400 -0.079 0.000 2.147 351 K HA -0.062 4.276 4.320 0.030 0.000 0.205 351 K C 1.865 178.442 176.600 -0.038 0.000 1.049 351 K CA 2.077 58.336 56.287 -0.047 0.000 0.936 351 K CB -0.964 31.507 32.500 -0.049 0.000 0.722 351 K HN 0.396 nan 8.250 nan 0.000 0.446 352 T N 0.005 114.542 114.554 -0.029 0.000 2.564 352 T HA -0.164 4.204 4.350 0.030 0.000 0.259 352 T C 1.211 175.952 174.700 0.068 0.000 1.087 352 T CA 1.621 63.755 62.100 0.057 0.000 1.184 352 T CB -0.744 68.233 68.868 0.181 0.000 0.864 352 T HN 0.304 nan 8.240 nan 0.000 0.403 353 Y N 2.107 122.374 120.300 -0.055 0.000 2.096 353 Y HA -0.307 4.258 4.550 0.026 0.000 0.276 353 Y C 2.450 178.199 175.900 -0.251 0.000 1.209 353 Y CA 2.307 60.282 58.100 -0.209 0.000 1.137 353 Y CB -0.640 37.368 38.460 -0.752 0.000 0.956 353 Y HN 0.442 nan 8.280 nan 0.000 0.506 354 E N -1.028 119.009 120.200 -0.271 0.000 2.012 354 E HA -0.246 4.122 4.350 0.030 0.000 0.197 354 E C 2.148 178.613 176.600 -0.226 0.000 1.007 354 E CA 2.430 58.679 56.400 -0.251 0.000 0.816 354 E CB -0.532 29.144 29.700 -0.040 0.000 0.762 354 E HN 0.469 nan 8.360 nan 0.000 0.451 355 T N 0.020 114.509 114.554 -0.109 0.000 2.680 355 T HA -0.229 4.139 4.350 0.030 0.000 0.268 355 T C 1.872 176.511 174.700 -0.101 0.000 1.033 355 T CA 1.972 64.031 62.100 -0.069 0.000 1.152 355 T CB -0.634 68.219 68.868 -0.027 0.000 0.859 355 T HN 0.306 nan 8.240 nan 0.000 0.452 356 T N 1.912 116.385 114.554 -0.136 0.000 2.708 356 T HA 0.030 4.398 4.350 0.030 0.000 0.266 356 T C 1.940 176.511 174.700 -0.215 0.000 1.037 356 T CA 0.941 62.967 62.100 -0.124 0.000 1.146 356 T CB -0.362 68.461 68.868 -0.076 0.000 0.865 356 T HN 0.286 nan 8.240 nan 0.000 0.435 357 L N 0.779 121.713 121.223 -0.480 0.000 2.056 357 L HA -0.049 4.310 4.340 0.030 0.000 0.207 357 L C 2.785 179.460 176.870 -0.324 0.000 1.078 357 L CA 1.062 55.548 54.840 -0.591 0.000 0.749 357 L CB -0.598 40.683 42.059 -1.297 0.000 0.901 357 L HN 0.175 nan 8.230 nan 0.000 0.433 358 E N 0.431 120.499 120.200 -0.219 0.000 2.209 358 E HA -0.242 4.126 4.350 0.030 0.000 0.196 358 E C 1.943 178.528 176.600 -0.025 0.000 0.993 358 E CA 1.152 57.528 56.400 -0.041 0.000 0.819 358 E CB -0.001 29.703 29.700 0.006 0.000 0.745 358 E HN 0.489 nan 8.360 nan 0.000 0.477 359 K N 0.032 120.407 120.400 -0.042 0.000 2.056 359 K HA -0.004 4.334 4.320 0.030 0.000 0.205 359 K C 2.211 178.820 176.600 0.015 0.000 1.035 359 K CA 0.990 57.273 56.287 -0.006 0.000 0.955 359 K CB -0.187 32.312 32.500 -0.001 0.000 0.769 359 K HN 0.042 nan 8.250 nan 0.000 0.447 360 c N 1.061 119.684 118.600 0.038 0.000 2.419 360 c HA -0.036 4.553 4.570 0.030 0.000 0.283 360 c C 2.309 176.463 174.090 0.107 0.000 1.373 360 c CA 0.278 56.672 56.329 0.110 0.000 1.781 360 c CB -0.975 41.720 42.510 0.308 0.000 1.886 360 c HN 0.614 nan 8.230 nan 0.000 0.520 361 c N 0.799 119.433 118.600 0.057 0.000 2.578 361 c HA 0.389 4.977 4.570 0.030 0.000 0.285 361 c C 1.708 175.825 174.090 0.045 0.000 1.297 361 c CA 0.306 56.670 56.329 0.059 0.000 1.690 361 c CB -2.007 40.520 42.510 0.029 0.000 1.773 361 c HN 0.654 nan 8.230 nan 0.000 0.594 362 A N 0.128 122.969 122.820 0.035 0.000 3.129 362 A HA 0.757 5.095 4.320 0.030 0.000 0.282 362 A C 0.129 177.725 177.584 0.020 0.000 0.948 362 A CA 0.154 52.207 52.037 0.026 0.000 1.027 362 A CB -0.190 18.823 19.000 0.022 0.000 1.123 362 A HN 0.438 nan 8.150 nan 0.000 0.485 363 A N -0.708 122.125 122.820 0.021 0.000 2.469 363 A HA 0.833 5.171 4.320 0.030 0.000 0.299 363 A C 1.030 178.616 177.584 0.003 0.000 1.098 363 A CA 0.093 52.136 52.037 0.010 0.000 0.737 363 A CB 0.670 19.674 19.000 0.007 0.000 1.312 363 A HN 1.284 nan 8.150 nan 0.000 0.414 364 A N 0.147 122.964 122.820 -0.005 0.000 1.828 364 A HA 0.058 4.396 4.320 0.030 0.000 0.215 364 A C 0.833 178.409 177.584 -0.014 0.000 1.203 364 A CA 2.197 54.229 52.037 -0.009 0.000 0.614 364 A CB -0.405 18.587 19.000 -0.012 0.000 0.844 364 A HN 0.760 nan 8.150 nan 0.000 0.445 365 D N -1.245 119.138 120.400 -0.029 0.000 2.485 365 D HA 0.405 5.063 4.640 0.030 0.000 0.256 365 D C -1.961 174.296 176.300 -0.073 0.000 1.141 365 D CA -2.231 51.742 54.000 -0.044 0.000 0.942 365 D CB 0.909 41.675 40.800 -0.057 0.000 1.003 365 D HN -0.008 nan 8.370 nan 0.000 0.507 366 P HA -0.211 nan 4.420 nan 0.000 0.211 366 P C 1.224 178.273 177.300 -0.420 0.000 1.181 366 P CA 1.362 64.387 63.100 -0.125 0.000 0.929 366 P CB -0.023 31.680 31.700 0.004 0.000 0.789 367 H N -0.571 118.193 119.070 -0.510 0.000 2.330 367 H HA -0.293 4.280 4.556 0.028 0.000 0.290 367 H C 2.155 177.153 175.328 -0.550 0.000 1.111 367 H CA 1.998 57.660 56.048 -0.643 0.000 1.226 367 H CB -0.085 29.525 29.762 -0.253 0.000 1.355 367 H HN 0.088 nan 8.280 nan 0.000 0.485 368 E N 0.132 120.189 120.200 -0.238 0.000 2.077 368 E HA -0.194 4.174 4.350 0.030 0.000 0.193 368 E C 2.510 179.010 176.600 -0.166 0.000 0.989 368 E CA 1.370 57.641 56.400 -0.215 0.000 0.800 368 E CB -0.723 28.880 29.700 -0.162 0.000 0.746 368 E HN 0.512 nan 8.360 nan 0.000 0.452 369 c N 0.490 118.982 118.600 -0.180 0.000 2.411 369 c HA -0.114 4.474 4.570 0.030 0.000 0.279 369 c C 1.688 175.781 174.090 0.005 0.000 1.288 369 c CA 1.138 57.417 56.329 -0.083 0.000 1.764 369 c CB -1.187 41.295 42.510 -0.047 0.000 1.974 369 c HN 0.697 nan 8.230 nan 0.000 0.498 370 Y N -1.131 119.207 120.300 0.063 0.000 2.715 370 Y HA 0.695 5.261 4.550 0.026 0.000 0.255 370 Y C 1.297 177.259 175.900 0.103 0.000 1.139 370 Y CA -0.453 57.690 58.100 0.071 0.000 1.151 370 Y CB -1.360 37.139 38.460 0.065 0.000 1.201 370 Y HN 0.043 nan 8.280 nan 0.000 0.556 371 A N 0.816 123.707 122.820 0.119 0.000 2.015 371 A HA 0.010 4.348 4.320 0.030 0.000 0.219 371 A C 1.186 178.848 177.584 0.130 0.000 1.163 371 A CA 0.809 52.938 52.037 0.154 0.000 0.646 371 A CB -0.160 18.861 19.000 0.036 0.000 0.806 371 A HN 0.168 nan 8.150 nan 0.000 0.448 372 K N 0.277 120.744 120.400 0.111 0.000 2.291 372 K HA 0.419 4.758 4.320 0.030 0.000 0.242 372 K C 0.039 176.694 176.600 0.092 0.000 1.098 372 K CA -0.022 56.313 56.287 0.079 0.000 1.036 372 K CB 0.902 33.431 32.500 0.049 0.000 1.655 372 K HN 0.132 nan 8.250 nan 0.000 0.432 373 V N 0.853 120.826 119.914 0.098 0.000 3.103 373 V HA 0.024 4.163 4.120 0.030 0.000 0.229 373 V C 0.944 176.837 176.094 -0.335 0.000 1.304 373 V CA 0.326 62.638 62.300 0.019 0.000 1.298 373 V CB -0.042 31.908 31.823 0.212 0.000 1.093 373 V HN 0.399 nan 8.190 nan 0.000 0.489 374 F N 1.523 121.155 119.950 -0.529 0.000 2.494 374 F HA -0.068 4.475 4.527 0.027 0.000 0.298 374 F C 1.888 177.475 175.800 -0.354 0.000 1.106 374 F CA 1.360 58.957 58.000 -0.671 0.000 1.452 374 F CB -0.712 38.195 39.000 -0.155 0.000 1.085 374 F HN 0.315 nan 8.300 nan 0.000 0.569 375 D N 0.003 120.381 120.400 -0.037 0.000 2.117 375 D HA -0.134 4.524 4.640 0.030 0.000 0.198 375 D C 1.925 178.230 176.300 0.008 0.000 0.982 375 D CA 1.162 55.172 54.000 0.017 0.000 0.828 375 D CB -0.294 40.523 40.800 0.029 0.000 0.967 375 D HN 0.345 nan 8.370 nan 0.000 0.464 376 E N -0.473 119.700 120.200 -0.045 0.000 2.472 376 E HA -0.102 4.266 4.350 0.030 0.000 0.200 376 E C 1.139 177.876 176.600 0.228 0.000 1.046 376 E CA 0.264 56.702 56.400 0.062 0.000 0.871 376 E CB -0.031 29.715 29.700 0.077 0.000 0.806 376 E HN 0.288 nan 8.360 nan 0.000 0.533 377 F N 1.125 121.095 119.950 0.032 0.000 2.335 377 F HA 0.036 4.570 4.527 0.011 0.000 0.296 377 F C 2.096 177.878 175.800 -0.030 0.000 1.091 377 F CA 0.431 58.411 58.000 -0.034 0.000 1.399 377 F CB -0.370 38.594 39.000 -0.059 0.000 1.067 377 F HN -0.156 nan 8.300 nan 0.000 0.520 378 K N 0.714 121.234 120.400 0.200 0.000 2.063 378 K HA -0.115 4.223 4.320 0.030 0.000 0.208 378 K C -0.431 176.208 176.600 0.065 0.000 1.048 378 K CA 1.323 57.683 56.287 0.121 0.000 0.928 378 K CB -1.875 30.689 32.500 0.107 0.000 0.713 378 K HN 0.226 nan 8.250 nan 0.000 0.442 379 P HA -0.114 nan 4.420 nan 0.000 0.220 379 P C 1.517 178.816 177.300 -0.002 0.000 1.152 379 P CA 0.805 63.922 63.100 0.029 0.000 0.812 379 P CB 0.135 31.856 31.700 0.034 0.000 0.792 380 L N -0.372 120.846 121.223 -0.008 0.000 2.093 380 L HA -0.085 4.273 4.340 0.030 0.000 0.208 380 L C 2.701 179.485 176.870 -0.143 0.000 1.085 380 L CA 1.455 56.251 54.840 -0.073 0.000 0.755 380 L CB -1.315 40.689 42.059 -0.092 0.000 0.904 380 L HN -0.192 nan 8.230 nan 0.000 0.435 381 V N -0.961 118.865 119.914 -0.147 0.000 2.323 381 V HA -0.221 3.917 4.120 0.030 0.000 0.244 381 V C 2.347 178.376 176.094 -0.108 0.000 1.041 381 V CA 1.396 63.566 62.300 -0.218 0.000 1.025 381 V CB -0.352 31.383 31.823 -0.146 0.000 0.656 381 V HN 0.437 nan 8.190 nan 0.000 0.451 382 E N -0.077 120.102 120.200 -0.036 0.000 2.033 382 E HA -0.291 4.077 4.350 0.030 0.000 0.199 382 E C 2.314 178.905 176.600 -0.016 0.000 1.011 382 E CA 1.547 57.944 56.400 -0.006 0.000 0.815 382 E CB -0.316 29.392 29.700 0.013 0.000 0.755 382 E HN 0.540 nan 8.360 nan 0.000 0.451 383 E N 0.584 120.771 120.200 -0.022 0.000 2.095 383 E HA -0.213 4.155 4.350 0.030 0.000 0.212 383 E C -0.626 175.961 176.600 -0.020 0.000 1.044 383 E CA 2.341 58.730 56.400 -0.017 0.000 0.857 383 E CB -1.037 28.650 29.700 -0.022 0.000 0.764 383 E HN 0.202 nan 8.360 nan 0.000 0.462 384 P HA -0.118 nan 4.420 nan 0.000 0.217 384 P C 1.444 178.732 177.300 -0.021 0.000 1.151 384 P CA 1.417 64.492 63.100 -0.041 0.000 0.828 384 P CB -0.226 31.422 31.700 -0.087 0.000 0.788 385 Q N -0.135 119.653 119.800 -0.021 0.000 2.050 385 Q HA -0.112 4.246 4.340 0.030 0.000 0.202 385 Q C 1.881 177.891 176.000 0.016 0.000 0.980 385 Q CA 1.212 57.021 55.803 0.009 0.000 0.840 385 Q CB -0.584 28.169 28.738 0.025 0.000 0.898 385 Q HN 0.295 nan 8.270 nan 0.000 0.424 386 N N 0.347 119.055 118.700 0.013 0.000 2.550 386 N HA -0.035 4.724 4.740 0.030 0.000 0.186 386 N C 1.450 176.974 175.510 0.023 0.000 1.110 386 N CA 0.634 53.696 53.050 0.019 0.000 0.912 386 N CB 0.148 38.646 38.487 0.018 0.000 0.968 386 N HN 0.259 nan 8.380 nan 0.000 0.448 387 L N 0.068 121.305 121.223 0.023 0.000 2.162 387 L HA 0.028 4.386 4.340 0.030 0.000 0.205 387 L C 1.746 178.640 176.870 0.041 0.000 1.086 387 L CA 0.374 55.236 54.840 0.036 0.000 0.778 387 L CB -0.031 42.050 42.059 0.037 0.000 0.928 387 L HN 0.021 nan 8.230 nan 0.000 0.446 388 I N 0.218 120.804 120.570 0.028 0.000 2.113 388 I HA -0.274 3.914 4.170 0.030 0.000 0.238 388 I C 2.438 178.564 176.117 0.016 0.000 1.070 388 I CA 1.354 62.665 61.300 0.019 0.000 1.332 388 I CB -1.106 36.901 38.000 0.012 0.000 1.044 388 I HN 0.119 nan 8.210 nan 0.000 0.402 389 K N 0.960 121.371 120.400 0.019 0.000 1.990 389 K HA -0.281 4.057 4.320 0.030 0.000 0.225 389 K C 2.118 178.733 176.600 0.024 0.000 1.053 389 K CA 2.042 58.340 56.287 0.019 0.000 0.982 389 K CB -0.922 31.591 32.500 0.022 0.000 0.734 389 K HN 0.348 nan 8.250 nan 0.000 0.448 390 Q N 0.211 120.031 119.800 0.033 0.000 2.142 390 Q HA -0.298 4.061 4.340 0.030 0.000 0.213 390 Q C 1.736 177.776 176.000 0.066 0.000 1.004 390 Q CA 2.110 57.940 55.803 0.045 0.000 0.883 390 Q CB -0.175 28.592 28.738 0.047 0.000 0.939 390 Q HN 0.360 nan 8.270 nan 0.000 0.413 391 N N -0.514 118.233 118.700 0.078 0.000 2.135 391 N HA -0.099 4.659 4.740 0.030 0.000 0.186 391 N C 1.913 177.423 175.510 -0.001 0.000 1.027 391 N CA 1.357 54.485 53.050 0.129 0.000 0.849 391 N CB -0.347 38.251 38.487 0.185 0.000 1.002 391 N HN 0.344 nan 8.380 nan 0.000 0.425 392 c N 1.550 120.124 118.600 -0.045 0.000 2.440 392 c HA -0.006 4.583 4.570 0.030 0.000 0.278 392 c C 2.529 176.608 174.090 -0.018 0.000 1.295 392 c CA 0.291 56.560 56.329 -0.100 0.000 1.738 392 c CB -0.796 41.663 42.510 -0.086 0.000 1.987 392 c HN 0.483 nan 8.230 nan 0.000 0.492 393 E N 0.527 120.728 120.200 0.001 0.000 2.058 393 E HA -0.245 4.123 4.350 0.030 0.000 0.194 393 E C 2.058 178.660 176.600 0.004 0.000 0.997 393 E CA 1.066 57.474 56.400 0.013 0.000 0.801 393 E CB -0.342 29.370 29.700 0.020 0.000 0.746 393 E HN 0.602 nan 8.360 nan 0.000 0.450 394 L N 0.370 121.601 121.223 0.014 0.000 2.079 394 L HA -0.182 4.176 4.340 0.030 0.000 0.210 394 L C 2.296 179.118 176.870 -0.081 0.000 1.081 394 L CA 1.118 55.983 54.840 0.041 0.000 0.752 394 L CB -0.154 42.017 42.059 0.187 0.000 0.896 394 L HN 0.101 nan 8.230 nan 0.000 0.433 395 F N 0.148 119.768 119.950 -0.549 0.000 2.456 395 F HA -0.085 4.460 4.527 0.030 0.000 0.298 395 F C 2.162 177.761 175.800 -0.335 0.000 1.104 395 F CA 1.133 58.648 58.000 -0.807 0.000 1.435 395 F CB -0.099 38.167 39.000 -1.223 0.000 1.078 395 F HN 0.122 nan 8.300 nan 0.000 0.546 396 E N -0.160 120.011 120.200 -0.047 0.000 2.216 396 E HA -0.158 4.210 4.350 0.030 0.000 0.192 396 E C 1.974 178.495 176.600 -0.132 0.000 0.988 396 E CA 0.796 57.156 56.400 -0.067 0.000 0.834 396 E CB -0.070 29.644 29.700 0.023 0.000 0.772 396 E HN 0.615 nan 8.360 nan 0.000 0.479 397 Q N 0.544 120.284 119.800 -0.101 0.000 1.916 397 Q HA -0.045 4.313 4.340 0.030 0.000 0.203 397 Q C 0.755 176.700 176.000 -0.092 0.000 0.983 397 Q CA 0.802 56.565 55.803 -0.066 0.000 0.846 397 Q CB -0.138 28.587 28.738 -0.020 0.000 0.909 397 Q HN 0.136 nan 8.270 nan 0.000 0.427 398 L N 0.104 121.277 121.223 -0.084 0.000 2.439 398 L HA 0.337 4.695 4.340 0.030 0.000 0.261 398 L C 0.843 177.596 176.870 -0.195 0.000 1.153 398 L CA -0.575 54.229 54.840 -0.060 0.000 0.808 398 L CB 0.169 42.260 42.059 0.053 0.000 1.126 398 L HN 0.125 nan 8.230 nan 0.000 0.460 399 G N -0.452 108.270 108.800 -0.130 0.000 2.588 399 G HA2 0.091 4.069 3.960 0.030 0.000 0.278 399 G HA3 0.091 4.069 3.960 0.030 0.000 0.278 399 G C 0.613 175.402 174.900 -0.185 0.000 1.307 399 G CA -0.055 44.916 45.100 -0.215 0.000 1.016 399 G HN 0.879 nan 8.290 nan 0.000 0.503 400 E N -1.272 118.854 120.200 -0.123 0.000 2.038 400 E HA -0.277 4.091 4.350 0.030 0.000 0.195 400 E C 1.927 178.693 176.600 0.276 0.000 1.000 400 E CA 1.481 57.996 56.400 0.192 0.000 0.803 400 E CB -0.349 29.516 29.700 0.276 0.000 0.750 400 E HN 0.534 nan 8.360 nan 0.000 0.448 401 Y N 1.235 121.593 120.300 0.096 0.000 2.070 401 Y HA -0.215 4.354 4.550 0.031 0.000 0.280 401 Y C 2.297 178.244 175.900 0.078 0.000 1.148 401 Y CA 2.288 60.435 58.100 0.079 0.000 1.125 401 Y CB -0.329 38.162 38.460 0.051 0.000 0.975 401 Y HN -0.041 nan 8.280 nan 0.000 0.492 402 K N -0.289 120.114 120.400 0.005 0.000 2.211 402 K HA -0.188 4.150 4.320 0.030 0.000 0.204 402 K C 1.891 178.474 176.600 -0.027 0.000 1.047 402 K CA 1.505 57.751 56.287 -0.069 0.000 0.935 402 K CB -0.812 31.713 32.500 0.041 0.000 0.728 402 K HN 0.438 nan 8.250 nan 0.000 0.452 403 F N 0.955 120.846 119.950 -0.098 0.000 2.234 403 F HA -0.014 4.529 4.527 0.028 0.000 0.296 403 F C 1.666 177.455 175.800 -0.018 0.000 1.089 403 F CA 1.173 59.156 58.000 -0.028 0.000 1.343 403 F CB -0.053 38.981 39.000 0.056 0.000 1.040 403 F HN 0.033 nan 8.300 nan 0.000 0.498 404 Q N -0.127 119.555 119.800 -0.196 0.000 2.369 404 Q HA -0.132 4.226 4.340 0.030 0.000 0.206 404 Q C 1.210 177.040 176.000 -0.282 0.000 0.963 404 Q CA 1.190 56.830 55.803 -0.272 0.000 0.894 404 Q CB -0.201 28.482 28.738 -0.091 0.000 0.965 404 Q HN 0.447 nan 8.270 nan 0.000 0.475 405 N N -0.115 118.398 118.700 -0.312 0.000 2.415 405 N HA 0.019 4.778 4.740 0.030 0.000 0.176 405 N C 1.307 176.697 175.510 -0.201 0.000 1.042 405 N CA 0.804 53.698 53.050 -0.262 0.000 0.902 405 N CB 0.086 38.385 38.487 -0.314 0.000 0.986 405 N HN 0.173 nan 8.380 nan 0.000 0.447 406 A N 0.773 123.464 122.820 -0.216 0.000 1.897 406 A HA 0.001 4.339 4.320 0.030 0.000 0.215 406 A C 2.000 179.432 177.584 -0.254 0.000 1.181 406 A CA 0.842 52.770 52.037 -0.181 0.000 0.620 406 A CB -0.659 18.274 19.000 -0.112 0.000 0.821 406 A HN 0.175 nan 8.150 nan 0.000 0.443 407 L N -0.950 120.066 121.223 -0.345 0.000 2.083 407 L HA -0.167 4.191 4.340 0.030 0.000 0.209 407 L C 2.542 179.323 176.870 -0.148 0.000 1.083 407 L CA 0.866 55.525 54.840 -0.302 0.000 0.752 407 L CB -0.637 41.309 42.059 -0.189 0.000 0.899 407 L HN 0.378 nan 8.230 nan 0.000 0.433 408 L N -0.203 120.962 121.223 -0.097 0.000 2.012 408 L HA -0.168 4.190 4.340 0.030 0.000 0.210 408 L C 2.408 179.247 176.870 -0.052 0.000 1.073 408 L CA 1.720 56.544 54.840 -0.027 0.000 0.748 408 L CB -0.535 41.489 42.059 -0.060 0.000 0.891 408 L HN -0.061 nan 8.230 nan 0.000 0.431 409 V N -0.470 119.381 119.914 -0.105 0.000 2.358 409 V HA -0.252 3.886 4.120 0.030 0.000 0.246 409 V C 2.714 178.718 176.094 -0.150 0.000 1.047 409 V CA 1.782 64.023 62.300 -0.098 0.000 1.035 409 V CB -0.672 31.096 31.823 -0.093 0.000 0.658 409 V HN 0.480 nan 8.190 nan 0.000 0.452 410 R N -0.527 119.813 120.500 -0.267 0.000 2.094 410 R HA -0.229 4.130 4.340 0.030 0.000 0.239 410 R C 2.281 178.336 176.300 -0.408 0.000 1.137 410 R CA 2.357 58.208 56.100 -0.415 0.000 0.943 410 R CB -0.414 29.469 30.300 -0.695 0.000 0.850 410 R HN 0.553 nan 8.270 nan 0.000 0.433 411 Y N -0.473 119.791 120.300 -0.061 0.000 2.337 411 Y HA 0.029 4.596 4.550 0.028 0.000 0.293 411 Y C 2.444 178.310 175.900 -0.057 0.000 1.123 411 Y CA 1.235 59.305 58.100 -0.049 0.000 1.201 411 Y CB -0.523 37.903 38.460 -0.057 0.000 1.011 411 Y HN 0.075 nan 8.280 nan 0.000 0.545 412 T N 0.146 114.729 114.554 0.048 0.000 2.833 412 T HA -0.151 4.217 4.350 0.030 0.000 0.269 412 T C 1.621 176.272 174.700 -0.082 0.000 1.054 412 T CA 1.475 63.569 62.100 -0.011 0.000 1.135 412 T CB -0.140 68.719 68.868 -0.014 0.000 0.869 412 T HN 0.361 nan 8.240 nan 0.000 0.466 413 K N 0.390 120.744 120.400 -0.077 0.000 2.314 413 K HA 0.130 4.469 4.320 0.030 0.000 0.198 413 K C 2.279 178.830 176.600 -0.081 0.000 1.045 413 K CA 0.357 56.585 56.287 -0.099 0.000 0.988 413 K CB 0.162 32.617 32.500 -0.076 0.000 0.783 413 K HN 0.112 nan 8.250 nan 0.000 0.484 414 K N 0.701 121.081 120.400 -0.032 0.000 2.031 414 K HA -0.002 4.336 4.320 0.030 0.000 0.205 414 K C 0.824 177.427 176.600 0.004 0.000 1.049 414 K CA 1.030 57.327 56.287 0.016 0.000 0.939 414 K CB 0.303 32.870 32.500 0.112 0.000 0.717 414 K HN -0.068 nan 8.250 nan 0.000 0.438 415 V N 2.268 122.181 119.914 -0.002 0.000 2.462 415 V HA 0.128 4.266 4.120 0.030 0.000 0.257 415 V C -2.281 173.759 176.094 -0.091 0.000 0.944 415 V CA -0.934 61.354 62.300 -0.019 0.000 0.903 415 V CB 1.355 33.216 31.823 0.062 0.000 1.128 415 V HN -0.046 nan 8.190 nan 0.000 0.486 416 P HA -0.178 nan 4.420 nan 0.000 0.220 416 P C 1.447 178.657 177.300 -0.150 0.000 1.144 416 P CA 1.265 64.101 63.100 -0.441 0.000 0.800 416 P CB 0.299 31.088 31.700 -1.517 0.000 0.772 417 Q N -1.023 118.755 119.800 -0.036 0.000 2.124 417 Q HA -0.044 4.314 4.340 0.030 0.000 0.202 417 Q C 0.773 176.811 176.000 0.063 0.000 0.977 417 Q CA 0.599 56.452 55.803 0.084 0.000 0.850 417 Q CB -1.070 27.727 28.738 0.099 0.000 0.901 417 Q HN 0.109 nan 8.270 nan 0.000 0.429 418 V N 1.656 121.600 119.914 0.050 0.000 2.763 418 V HA -0.065 4.074 4.120 0.030 0.000 0.306 418 V C 0.576 176.691 176.094 0.034 0.000 1.059 418 V CA -0.074 62.257 62.300 0.051 0.000 1.138 418 V CB 1.110 32.973 31.823 0.067 0.000 0.940 418 V HN 0.373 nan 8.190 nan 0.000 0.489 419 S N 3.874 119.588 115.700 0.024 0.000 2.599 419 S HA -0.083 4.405 4.470 0.030 0.000 0.303 419 S C 1.432 176.040 174.600 0.014 0.000 1.267 419 S CA 0.519 58.728 58.200 0.015 0.000 1.055 419 S CB 0.594 63.797 63.200 0.006 0.000 0.790 419 S HN 0.901 nan 8.310 nan 0.000 0.500 420 T N 6.598 121.158 114.554 0.010 0.000 2.708 420 T HA -0.027 4.341 4.350 0.030 0.000 0.266 420 T C -0.910 173.791 174.700 0.002 0.000 1.037 420 T CA 1.702 63.806 62.100 0.006 0.000 1.146 420 T CB -1.326 67.540 68.868 -0.004 0.000 0.865 420 T HN 0.597 nan 8.240 nan 0.000 0.435 421 P HA -0.008 nan 4.420 nan 0.000 0.220 421 P C 1.445 178.745 177.300 -0.000 0.000 1.148 421 P CA 1.077 64.177 63.100 -0.001 0.000 0.803 421 P CB -0.237 31.462 31.700 -0.003 0.000 0.782 422 T N -0.977 113.577 114.554 -0.000 0.000 2.904 422 T HA -0.006 4.363 4.350 0.030 0.000 0.267 422 T C 1.685 176.376 174.700 -0.014 0.000 1.059 422 T CA 0.805 62.903 62.100 -0.005 0.000 1.137 422 T CB -0.629 68.242 68.868 0.004 0.000 0.879 422 T HN 0.058 nan 8.240 nan 0.000 0.467 423 L N 0.597 121.817 121.223 -0.005 0.000 2.005 423 L HA -0.069 4.289 4.340 0.030 0.000 0.207 423 L C 2.657 179.523 176.870 -0.007 0.000 1.072 423 L CA 0.915 55.753 54.840 -0.004 0.000 0.744 423 L CB -0.672 41.397 42.059 0.016 0.000 0.895 423 L HN 0.106 nan 8.230 nan 0.000 0.433 424 V N 0.028 119.943 119.914 0.002 0.000 2.250 424 V HA -0.391 3.748 4.120 0.030 0.000 0.250 424 V C 2.471 178.565 176.094 -0.000 0.000 1.060 424 V CA 2.303 64.607 62.300 0.007 0.000 1.030 424 V CB -0.605 31.228 31.823 0.017 0.000 0.643 424 V HN 0.521 nan 8.190 nan 0.000 0.445 425 E N -0.216 119.981 120.200 -0.006 0.000 2.038 425 E HA -0.206 4.162 4.350 0.030 0.000 0.195 425 E C 2.259 178.838 176.600 -0.035 0.000 1.000 425 E CA 1.895 58.289 56.400 -0.011 0.000 0.803 425 E CB -0.100 29.594 29.700 -0.010 0.000 0.750 425 E HN 0.402 nan 8.360 nan 0.000 0.448 426 V N 0.792 120.668 119.914 -0.063 0.000 2.255 426 V HA -0.295 3.843 4.120 0.030 0.000 0.247 426 V C 2.416 178.437 176.094 -0.123 0.000 1.051 426 V CA 2.138 64.365 62.300 -0.122 0.000 1.018 426 V CB -0.597 31.115 31.823 -0.184 0.000 0.641 426 V HN 0.276 nan 8.190 nan 0.000 0.445 427 S N -0.648 115.004 115.700 -0.080 0.000 2.400 427 S HA -0.213 4.275 4.470 0.030 0.000 0.232 427 S C 1.991 176.566 174.600 -0.041 0.000 1.025 427 S CA 1.526 59.704 58.200 -0.037 0.000 0.993 427 S CB -0.314 62.893 63.200 0.011 0.000 0.808 427 S HN 0.549 nan 8.310 nan 0.000 0.478 428 R N 1.417 121.903 120.500 -0.022 0.000 2.056 428 R HA 0.056 4.414 4.340 0.030 0.000 0.227 428 R C 2.139 178.438 176.300 -0.001 0.000 1.149 428 R CA 1.229 57.332 56.100 0.006 0.000 0.937 428 R CB -0.568 29.748 30.300 0.027 0.000 0.835 428 R HN 0.354 nan 8.270 nan 0.000 0.430 429 N N 1.292 119.980 118.700 -0.021 0.000 2.036 429 N HA -0.196 4.563 4.740 0.030 0.000 0.195 429 N C 1.890 177.373 175.510 -0.044 0.000 1.037 429 N CA 1.136 54.167 53.050 -0.032 0.000 0.855 429 N CB -0.447 38.017 38.487 -0.038 0.000 1.033 429 N HN 0.037 nan 8.380 nan 0.000 0.423 430 L N 1.284 122.467 121.223 -0.068 0.000 1.990 430 L HA -0.105 4.253 4.340 0.030 0.000 0.213 430 L C 2.308 179.174 176.870 -0.007 0.000 1.072 430 L CA 2.059 56.856 54.840 -0.072 0.000 0.755 430 L CB -1.281 40.690 42.059 -0.147 0.000 0.889 430 L HN 0.222 nan 8.230 nan 0.000 0.432 431 G N -1.049 107.748 108.800 -0.005 0.000 2.469 431 G HA2 -0.318 3.660 3.960 0.030 0.000 0.219 431 G HA3 -0.318 3.660 3.960 0.030 0.000 0.219 431 G C 1.647 176.654 174.900 0.179 0.000 1.150 431 G CA 1.162 46.301 45.100 0.064 0.000 0.763 431 G HN 0.425 nan 8.290 nan 0.000 0.561 432 K N -0.034 120.412 120.400 0.077 0.000 1.971 432 K HA -0.094 4.244 4.320 0.030 0.000 0.221 432 K C 2.457 179.030 176.600 -0.045 0.000 1.050 432 K CA 1.594 57.902 56.287 0.035 0.000 0.967 432 K CB -0.921 31.554 32.500 -0.042 0.000 0.733 432 K HN 0.130 nan 8.250 nan 0.000 0.445 433 V N 0.942 120.782 119.914 -0.123 0.000 2.358 433 V HA -0.376 3.762 4.120 0.030 0.000 0.253 433 V C 2.324 178.320 176.094 -0.164 0.000 1.105 433 V CA 2.322 64.526 62.300 -0.160 0.000 1.105 433 V CB -1.720 30.082 31.823 -0.036 0.000 0.846 433 V HN 0.721 nan 8.190 nan 0.000 0.464 434 G N -0.597 108.131 108.800 -0.121 0.000 2.443 434 G HA2 -0.220 3.758 3.960 0.030 0.000 0.219 434 G HA3 -0.220 3.758 3.960 0.030 0.000 0.219 434 G C 1.701 176.142 174.900 -0.764 0.000 1.131 434 G CA 1.401 46.283 45.100 -0.364 0.000 0.775 434 G HN 0.782 nan 8.290 nan 0.000 0.547 435 S N 1.481 116.891 115.700 -0.482 0.000 2.348 435 S HA -0.163 4.325 4.470 0.030 0.000 0.221 435 S C 1.939 176.384 174.600 -0.258 0.000 1.033 435 S CA 1.721 59.728 58.200 -0.320 0.000 1.010 435 S CB -0.287 62.934 63.200 0.035 0.000 0.891 435 S HN 0.604 nan 8.310 nan 0.000 0.442 436 K N -0.720 119.530 120.400 -0.250 0.000 2.397 436 K HA 0.435 4.774 4.320 0.030 0.000 0.202 436 K C 1.046 177.433 176.600 -0.355 0.000 1.022 436 K CA 0.175 56.327 56.287 -0.226 0.000 1.141 436 K CB -0.052 32.335 32.500 -0.189 0.000 0.857 436 K HN 0.369 nan 8.250 nan 0.000 0.514 437 c N -0.735 117.649 118.600 -0.361 0.000 2.478 437 c HA 0.185 4.773 4.570 0.030 0.000 0.397 437 c C 1.975 175.878 174.090 -0.312 0.000 1.360 437 c CA -0.316 55.779 56.329 -0.390 0.000 2.191 437 c CB -0.202 42.205 42.510 -0.171 0.000 2.654 437 c HN 0.714 nan 8.230 nan 0.000 0.548 438 c N 1.335 119.736 118.600 -0.333 0.000 2.485 438 c HA -0.008 4.580 4.570 0.030 0.000 0.283 438 c C 2.365 176.368 174.090 -0.145 0.000 1.478 438 c CA 0.991 57.155 56.329 -0.275 0.000 1.741 438 c CB -1.449 40.760 42.510 -0.501 0.000 1.675 438 c HN 0.518 nan 8.230 nan 0.000 0.573 439 K N 0.060 120.386 120.400 -0.123 0.000 2.262 439 K HA 0.096 4.434 4.320 0.030 0.000 0.200 439 K C 0.631 177.314 176.600 0.138 0.000 1.049 439 K CA 0.464 56.764 56.287 0.021 0.000 0.979 439 K CB -0.294 32.230 32.500 0.040 0.000 0.773 439 K HN 0.664 nan 8.250 nan 0.000 0.474 440 H N 1.026 120.085 119.070 -0.019 0.000 2.629 440 H HA 0.114 4.688 4.556 0.030 0.000 0.357 440 H C -2.047 173.275 175.328 -0.011 0.000 1.121 440 H CA -2.142 53.901 56.048 -0.008 0.000 1.406 440 H CB 0.768 30.529 29.762 -0.002 0.000 1.456 440 H HN 0.073 nan 8.280 nan 0.000 0.579 441 P HA 0.017 nan 4.420 nan 0.000 0.278 441 P C 0.488 177.820 177.300 0.054 0.000 1.258 441 P CA -0.322 62.811 63.100 0.055 0.000 0.811 441 P CB 1.372 33.086 31.700 0.024 0.000 1.063 442 E N 1.431 121.654 120.200 0.037 0.000 2.196 442 E HA -0.346 4.022 4.350 0.030 0.000 0.222 442 E C 2.039 178.661 176.600 0.037 0.000 1.072 442 E CA 3.072 59.495 56.400 0.037 0.000 0.902 442 E CB -0.893 28.824 29.700 0.028 0.000 0.780 442 E HN 0.518 nan 8.360 nan 0.000 0.467 443 A N 0.166 122.996 122.820 0.018 0.000 1.909 443 A HA -0.338 4.001 4.320 0.030 0.000 0.221 443 A C 2.055 179.646 177.584 0.012 0.000 1.223 443 A CA 2.414 54.451 52.037 -0.000 0.000 0.658 443 A CB -0.511 18.474 19.000 -0.025 0.000 0.831 443 A HN 0.227 nan 8.150 nan 0.000 0.462 444 K N -1.710 118.711 120.400 0.035 0.000 2.361 444 K HA 0.114 4.453 4.320 0.030 0.000 0.194 444 K C 2.088 178.785 176.600 0.162 0.000 1.032 444 K CA -0.033 56.302 56.287 0.080 0.000 1.048 444 K CB 0.120 32.635 32.500 0.026 0.000 0.842 444 K HN 0.402 nan 8.250 nan 0.000 0.526 445 R N 1.092 121.671 120.500 0.131 0.000 2.256 445 R HA -0.186 4.172 4.340 0.030 0.000 0.216 445 R C 2.268 178.599 176.300 0.052 0.000 1.080 445 R CA 2.094 58.242 56.100 0.079 0.000 0.848 445 R CB -0.523 29.803 30.300 0.043 0.000 0.794 445 R HN 0.128 nan 8.270 nan 0.000 0.438 446 M N 0.489 120.116 119.600 0.045 0.000 2.146 446 M HA -0.209 4.289 4.480 0.030 0.000 0.251 446 M C -1.030 175.284 176.300 0.024 0.000 1.083 446 M CA 2.269 57.588 55.300 0.032 0.000 1.076 446 M CB -0.932 31.696 32.600 0.046 0.000 1.332 446 M HN 0.042 nan 8.290 nan 0.000 0.400 447 P HA -0.138 nan 4.420 nan 0.000 0.213 447 P C 1.739 179.034 177.300 -0.007 0.000 1.170 447 P CA 1.528 64.631 63.100 0.005 0.000 0.893 447 P CB -0.345 31.356 31.700 0.002 0.000 0.784 448 c N 0.062 118.676 118.600 0.023 0.000 2.318 448 c HA -0.310 4.278 4.570 0.030 0.000 0.272 448 c C 2.836 176.926 174.090 0.001 0.000 1.156 448 c CA 2.398 58.734 56.329 0.011 0.000 1.783 448 c CB -1.651 40.885 42.510 0.044 0.000 2.023 448 c HN 0.267 nan 8.230 nan 0.000 0.437 449 A N -0.192 122.652 122.820 0.040 0.000 1.892 449 A HA -0.294 4.044 4.320 0.030 0.000 0.218 449 A C 2.154 179.757 177.584 0.031 0.000 1.188 449 A CA 2.304 54.378 52.037 0.062 0.000 0.631 449 A CB -1.163 17.857 19.000 0.034 0.000 0.822 449 A HN 0.875 nan 8.150 nan 0.000 0.447 450 E N -0.657 119.542 120.200 -0.001 0.000 2.171 450 E HA -0.286 4.082 4.350 0.030 0.000 0.197 450 E C 1.581 178.165 176.600 -0.027 0.000 0.997 450 E CA 1.465 57.862 56.400 -0.006 0.000 0.810 450 E CB -0.180 29.518 29.700 -0.002 0.000 0.738 450 E HN 0.584 nan 8.360 nan 0.000 0.467 451 D N -0.628 119.713 120.400 -0.099 0.000 2.077 451 D HA -0.150 4.508 4.640 0.030 0.000 0.196 451 D C 1.778 177.976 176.300 -0.169 0.000 0.986 451 D CA 1.130 55.015 54.000 -0.192 0.000 0.829 451 D CB -0.282 40.275 40.800 -0.404 0.000 0.983 451 D HN 0.267 nan 8.370 nan 0.000 0.453 452 Y N 0.248 120.550 120.300 0.003 0.000 2.200 452 Y HA -0.080 4.488 4.550 0.029 0.000 0.290 452 Y C 2.261 178.145 175.900 -0.027 0.000 1.137 452 Y CA 0.352 58.446 58.100 -0.009 0.000 1.163 452 Y CB -0.623 37.824 38.460 -0.020 0.000 0.988 452 Y HN 0.001 nan 8.280 nan 0.000 0.518 453 L N -0.133 121.158 121.223 0.114 0.000 2.201 453 L HA -0.174 4.184 4.340 0.030 0.000 0.212 453 L C 2.552 179.417 176.870 -0.008 0.000 1.105 453 L CA 1.833 56.689 54.840 0.027 0.000 0.775 453 L CB -1.129 40.937 42.059 0.012 0.000 0.913 453 L HN 0.333 nan 8.230 nan 0.000 0.440 454 S N -1.338 114.363 115.700 0.002 0.000 2.383 454 S HA -0.140 4.348 4.470 0.030 0.000 0.227 454 S C 1.953 176.547 174.600 -0.010 0.000 1.026 454 S CA 1.285 59.478 58.200 -0.011 0.000 0.981 454 S CB -1.046 62.142 63.200 -0.021 0.000 0.818 454 S HN 0.305 nan 8.310 nan 0.000 0.472 455 V N 0.077 119.997 119.914 0.011 0.000 2.346 455 V HA 0.065 4.203 4.120 0.030 0.000 0.244 455 V C 2.350 178.442 176.094 -0.002 0.000 1.037 455 V CA 1.184 63.495 62.300 0.019 0.000 1.029 455 V CB -1.369 30.490 31.823 0.060 0.000 0.663 455 V HN 0.362 nan 8.190 nan 0.000 0.454 456 V N 0.208 120.117 119.914 -0.008 0.000 2.660 456 V HA -0.199 3.939 4.120 0.030 0.000 0.257 456 V C 2.537 178.552 176.094 -0.130 0.000 1.088 456 V CA 2.039 64.303 62.300 -0.061 0.000 1.106 456 V CB -0.777 31.003 31.823 -0.072 0.000 0.686 456 V HN 0.443 nan 8.190 nan 0.000 0.481 457 L N -0.416 120.729 121.223 -0.130 0.000 2.221 457 L HA 0.098 4.456 4.340 0.030 0.000 0.202 457 L C 2.102 178.929 176.870 -0.073 0.000 1.074 457 L CA 1.635 56.359 54.840 -0.192 0.000 0.795 457 L CB -1.001 40.955 42.059 -0.171 0.000 0.960 457 L HN 0.354 nan 8.230 nan 0.000 0.458 458 N N -0.653 118.034 118.700 -0.021 0.000 2.106 458 N HA -0.253 4.506 4.740 0.030 0.000 0.188 458 N C 1.909 177.424 175.510 0.007 0.000 1.029 458 N CA 1.322 54.380 53.050 0.013 0.000 0.848 458 N CB -0.050 38.445 38.487 0.014 0.000 1.007 458 N HN 0.367 nan 8.380 nan 0.000 0.423 459 Q N -0.286 119.510 119.800 -0.007 0.000 2.152 459 Q HA -0.197 4.161 4.340 0.030 0.000 0.206 459 Q C 1.917 177.913 176.000 -0.006 0.000 0.985 459 Q CA 1.398 57.199 55.803 -0.003 0.000 0.863 459 Q CB -0.186 28.548 28.738 -0.007 0.000 0.904 459 Q HN 0.473 nan 8.270 nan 0.000 0.422 460 L N 0.102 121.304 121.223 -0.036 0.000 2.109 460 L HA -0.077 4.281 4.340 0.030 0.000 0.207 460 L C 2.104 179.000 176.870 0.043 0.000 1.086 460 L CA 1.474 56.293 54.840 -0.035 0.000 0.760 460 L CB -0.783 41.187 42.059 -0.148 0.000 0.910 460 L HN 0.339 nan 8.230 nan 0.000 0.437 461 c N -1.627 117.005 118.600 0.053 0.000 2.462 461 c HA -0.105 4.483 4.570 0.030 0.000 0.278 461 c C 2.724 176.877 174.090 0.105 0.000 1.253 461 c CA 0.858 57.245 56.329 0.096 0.000 1.713 461 c CB -0.838 41.725 42.510 0.088 0.000 2.049 461 c HN 0.465 nan 8.230 nan 0.000 0.477 462 V N 1.311 121.263 119.914 0.063 0.000 2.250 462 V HA -0.287 3.851 4.120 0.030 0.000 0.250 462 V C 2.387 178.517 176.094 0.059 0.000 1.060 462 V CA 2.215 64.545 62.300 0.050 0.000 1.030 462 V CB -0.707 31.131 31.823 0.026 0.000 0.643 462 V HN 0.556 nan 8.190 nan 0.000 0.445 463 L N -0.658 120.599 121.223 0.057 0.000 2.079 463 L HA -0.243 4.115 4.340 0.030 0.000 0.210 463 L C 2.588 179.501 176.870 0.072 0.000 1.081 463 L CA 2.063 56.932 54.840 0.048 0.000 0.752 463 L CB -0.922 41.159 42.059 0.037 0.000 0.896 463 L HN 0.509 nan 8.230 nan 0.000 0.433 464 H N 0.142 119.223 119.070 0.019 0.000 2.502 464 H HA -0.132 4.443 4.556 0.032 0.000 0.283 464 H C 2.036 177.377 175.328 0.021 0.000 1.015 464 H CA 1.437 57.501 56.048 0.027 0.000 1.298 464 H CB 0.447 30.239 29.762 0.050 0.000 1.411 464 H HN 0.394 nan 8.280 nan 0.000 0.556 465 E N 1.375 121.679 120.200 0.173 0.000 2.015 465 E HA -0.127 4.241 4.350 0.030 0.000 0.191 465 E C 2.116 178.737 176.600 0.035 0.000 0.991 465 E CA 1.567 58.033 56.400 0.110 0.000 0.802 465 E CB 0.051 29.793 29.700 0.070 0.000 0.759 465 E HN 0.306 nan 8.360 nan 0.000 0.447 466 K N -0.709 119.701 120.400 0.017 0.000 2.097 466 K HA 0.009 4.347 4.320 0.030 0.000 0.206 466 K C 0.437 177.017 176.600 -0.033 0.000 1.049 466 K CA 1.627 57.910 56.287 -0.006 0.000 0.933 466 K CB 0.112 32.610 32.500 -0.003 0.000 0.717 466 K HN 0.092 nan 8.250 nan 0.000 0.442 467 T N 2.234 116.752 114.554 -0.060 0.000 3.514 467 T HA 0.205 4.574 4.350 0.030 0.000 0.259 467 T C -2.692 171.868 174.700 -0.234 0.000 1.466 467 T CA -1.541 60.498 62.100 -0.102 0.000 1.562 467 T CB 0.691 69.517 68.868 -0.071 0.000 0.924 467 T HN -0.017 nan 8.240 nan 0.000 0.678 468 P HA 0.025 nan 4.420 nan 0.000 0.266 468 P C 0.167 177.186 177.300 -0.469 0.000 1.180 468 P CA 0.161 62.930 63.100 -0.551 0.000 0.765 468 P CB 1.122 32.709 31.700 -0.188 0.000 0.806 469 V N -0.329 119.248 119.914 -0.562 0.000 3.487 469 V HA 0.109 4.248 4.120 0.030 0.000 0.263 469 V C 0.336 176.471 176.094 0.069 0.000 1.722 469 V CA 0.415 62.626 62.300 -0.149 0.000 1.066 469 V CB 0.649 32.410 31.823 -0.103 0.000 0.905 469 V HN 0.719 nan 8.190 nan 0.000 0.387 470 S N 1.215 117.093 115.700 0.297 0.000 2.653 470 S HA 0.224 4.713 4.470 0.030 0.000 0.268 470 S C 0.542 175.273 174.600 0.218 0.000 1.153 470 S CA -0.026 58.323 58.200 0.249 0.000 1.036 470 S CB 1.217 64.540 63.200 0.204 0.000 1.103 470 S HN 0.542 nan 8.310 nan 0.000 0.466 471 D N 4.829 125.300 120.400 0.118 0.000 2.191 471 D HA -0.260 4.398 4.640 0.030 0.000 0.195 471 D C 1.444 177.743 176.300 -0.001 0.000 1.003 471 D CA 1.351 55.388 54.000 0.061 0.000 0.867 471 D CB -0.124 40.698 40.800 0.036 0.000 0.926 471 D HN 0.607 nan 8.370 nan 0.000 0.450 472 R N 0.184 120.678 120.500 -0.010 0.000 2.081 472 R HA -0.006 4.352 4.340 0.030 0.000 0.235 472 R C 2.517 178.713 176.300 -0.174 0.000 1.131 472 R CA 1.107 57.165 56.100 -0.071 0.000 0.960 472 R CB -0.308 29.970 30.300 -0.037 0.000 0.856 472 R HN 0.149 nan 8.270 nan 0.000 0.436 473 V N 0.422 120.226 119.914 -0.183 0.000 3.461 473 V HA -0.088 4.050 4.120 0.030 0.000 0.267 473 V C 1.609 177.425 176.094 -0.464 0.000 1.186 473 V CA 1.508 63.604 62.300 -0.340 0.000 1.154 473 V CB 0.089 31.763 31.823 -0.247 0.000 0.802 473 V HN 0.381 nan 8.190 nan 0.000 0.474 474 T N -0.406 113.953 114.554 -0.326 0.000 2.937 474 T HA -0.088 4.280 4.350 0.030 0.000 0.260 474 T C 1.980 176.594 174.700 -0.143 0.000 1.051 474 T CA 1.127 63.113 62.100 -0.189 0.000 1.141 474 T CB 0.044 68.918 68.868 0.009 0.000 0.879 474 T HN 0.290 nan 8.240 nan 0.000 0.459 475 K N 1.239 121.548 120.400 -0.151 0.000 2.001 475 K HA 0.017 4.355 4.320 0.030 0.000 0.208 475 K C 2.318 178.803 176.600 -0.193 0.000 1.048 475 K CA 1.276 57.483 56.287 -0.134 0.000 0.932 475 K CB -1.058 31.371 32.500 -0.120 0.000 0.715 475 K HN 0.276 nan 8.250 nan 0.000 0.437 476 c N -0.106 118.289 118.600 -0.341 0.000 2.413 476 c HA -0.118 4.470 4.570 0.030 0.000 0.277 476 c C 2.760 176.650 174.090 -0.334 0.000 1.265 476 c CA 0.912 56.931 56.329 -0.517 0.000 1.752 476 c CB -1.012 40.770 42.510 -1.212 0.000 1.998 476 c HN 0.628 nan 8.230 nan 0.000 0.489 477 c N -0.703 117.756 118.600 -0.235 0.000 2.495 477 c HA 0.005 4.593 4.570 0.030 0.000 0.275 477 c C 2.704 176.787 174.090 -0.012 0.000 1.392 477 c CA 1.070 57.374 56.329 -0.041 0.000 1.766 477 c CB -1.348 41.144 42.510 -0.030 0.000 1.933 477 c HN 0.679 nan 8.230 nan 0.000 0.519 478 T N -0.120 114.407 114.554 -0.045 0.000 3.009 478 T HA -0.022 4.346 4.350 0.030 0.000 0.258 478 T C 0.835 175.545 174.700 0.016 0.000 1.063 478 T CA 0.454 62.543 62.100 -0.018 0.000 1.139 478 T CB 0.078 68.927 68.868 -0.032 0.000 0.890 478 T HN 0.610 nan 8.240 nan 0.000 0.471 479 E N 1.707 121.908 120.200 0.002 0.000 2.563 479 E HA 0.101 4.470 4.350 0.030 0.000 0.260 479 E C 0.238 176.918 176.600 0.132 0.000 1.391 479 E CA -0.182 56.238 56.400 0.034 0.000 1.079 479 E CB 0.426 30.113 29.700 -0.023 0.000 0.984 479 E HN 0.376 nan 8.360 nan 0.000 0.563 480 S N 0.058 115.826 115.700 0.113 0.000 2.603 480 S HA 0.060 4.548 4.470 0.030 0.000 0.268 480 S C 1.295 175.865 174.600 -0.049 0.000 1.317 480 S CA -0.579 57.688 58.200 0.112 0.000 1.012 480 S CB 0.654 63.875 63.200 0.034 0.000 0.926 480 S HN 0.497 nan 8.310 nan 0.000 0.539 481 L N 1.995 123.028 121.223 -0.316 0.000 2.013 481 L HA -0.152 4.206 4.340 0.030 0.000 0.212 481 L C 2.771 179.547 176.870 -0.157 0.000 1.073 481 L CA 1.679 56.340 54.840 -0.299 0.000 0.753 481 L CB -1.316 40.417 42.059 -0.543 0.000 0.890 481 L HN 0.833 nan 8.230 nan 0.000 0.432 482 V N -3.248 116.572 119.914 -0.157 0.000 2.759 482 V HA -0.121 4.018 4.120 0.030 0.000 0.256 482 V C 2.000 178.052 176.094 -0.070 0.000 1.080 482 V CA 1.881 64.118 62.300 -0.105 0.000 1.101 482 V CB -0.646 31.115 31.823 -0.103 0.000 0.698 482 V HN 0.484 nan 8.190 nan 0.000 0.477 483 N N 0.486 119.153 118.700 -0.056 0.000 2.409 483 N HA 0.028 4.786 4.740 0.030 0.000 0.174 483 N C 1.855 177.349 175.510 -0.026 0.000 1.037 483 N CA 1.004 54.030 53.050 -0.039 0.000 0.898 483 N CB -0.097 38.370 38.487 -0.034 0.000 1.010 483 N HN 0.613 nan 8.380 nan 0.000 0.445 484 R N 1.627 122.124 120.500 -0.005 0.000 2.196 484 R HA -0.174 4.185 4.340 0.030 0.000 0.227 484 R C 2.192 178.573 176.300 0.135 0.000 1.108 484 R CA 1.652 57.783 56.100 0.052 0.000 0.884 484 R CB -0.199 30.157 30.300 0.093 0.000 0.839 484 R HN -0.017 nan 8.270 nan 0.000 0.431 485 R N 0.280 120.857 120.500 0.129 0.000 2.097 485 R HA -0.106 4.252 4.340 0.030 0.000 0.236 485 R C -0.626 175.755 176.300 0.134 0.000 1.135 485 R CA 2.337 58.530 56.100 0.154 0.000 0.934 485 R CB -1.719 28.618 30.300 0.063 0.000 0.846 485 R HN 0.337 nan 8.270 nan 0.000 0.431 486 P HA -0.139 nan 4.420 nan 0.000 0.216 486 P C 1.720 179.039 177.300 0.033 0.000 1.153 486 P CA 1.231 64.351 63.100 0.035 0.000 0.858 486 P CB -0.361 31.336 31.700 -0.005 0.000 0.789 487 c N -1.693 116.900 118.600 -0.012 0.000 2.385 487 c HA -0.223 4.365 4.570 0.030 0.000 0.275 487 c C 2.411 176.437 174.090 -0.106 0.000 1.207 487 c CA 0.996 57.267 56.329 -0.098 0.000 1.760 487 c CB -2.183 40.206 42.510 -0.201 0.000 2.051 487 c HN 0.067 nan 8.230 nan 0.000 0.467 488 F N 1.209 121.151 119.950 -0.013 0.000 2.134 488 F HA -0.061 4.482 4.527 0.028 0.000 0.299 488 F C 2.781 178.600 175.800 0.031 0.000 1.097 488 F CA 2.011 60.010 58.000 -0.003 0.000 1.264 488 F CB -0.699 38.288 39.000 -0.022 0.000 1.001 488 F HN 0.113 nan 8.300 nan 0.000 0.479 489 S N -0.542 115.290 115.700 0.220 0.000 2.547 489 S HA -0.021 4.467 4.470 0.030 0.000 0.235 489 S C 2.088 176.746 174.600 0.096 0.000 0.980 489 S CA 0.645 58.938 58.200 0.154 0.000 0.941 489 S CB -0.403 62.862 63.200 0.109 0.000 0.763 489 S HN 0.348 nan 8.310 nan 0.000 0.532 490 A N 0.988 123.847 122.820 0.066 0.000 1.984 490 A HA 0.292 4.630 4.320 0.030 0.000 0.214 490 A C 0.768 178.370 177.584 0.029 0.000 1.173 490 A CA 0.001 52.055 52.037 0.028 0.000 0.673 490 A CB -0.361 18.635 19.000 -0.006 0.000 0.830 490 A HN 0.428 nan 8.150 nan 0.000 0.453 491 L N 1.430 122.681 121.223 0.047 0.000 2.693 491 L HA -0.099 4.259 4.340 0.030 0.000 0.292 491 L C 0.232 177.128 176.870 0.042 0.000 1.243 491 L CA 0.548 55.418 54.840 0.049 0.000 0.903 491 L CB -0.174 41.952 42.059 0.111 0.000 1.160 491 L HN 0.443 nan 8.230 nan 0.000 0.496 492 E N 1.731 121.945 120.200 0.023 0.000 2.235 492 E HA 0.395 4.763 4.350 0.030 0.000 0.265 492 E C -0.751 175.855 176.600 0.010 0.000 0.940 492 E CA -1.099 55.310 56.400 0.014 0.000 0.819 492 E CB 2.226 31.931 29.700 0.008 0.000 1.206 492 E HN 0.264 nan 8.360 nan 0.000 0.409 493 V N 2.069 121.982 119.914 -0.001 0.000 2.720 493 V HA -0.118 4.020 4.120 0.030 0.000 0.307 493 V C 0.480 176.575 176.094 0.001 0.000 1.071 493 V CA 0.589 62.883 62.300 -0.010 0.000 1.199 493 V CB 0.238 32.052 31.823 -0.015 0.000 0.900 493 V HN 0.662 nan 8.190 nan 0.000 0.494 494 D N 3.843 124.238 120.400 -0.008 0.000 2.348 494 D HA 0.074 4.732 4.640 0.030 0.000 0.253 494 D C 0.683 177.022 176.300 0.064 0.000 1.161 494 D CA -0.223 53.790 54.000 0.022 0.000 0.876 494 D CB 1.353 42.152 40.800 -0.002 0.000 1.160 494 D HN 0.585 nan 8.370 nan 0.000 0.459 495 E N 1.907 122.148 120.200 0.068 0.000 2.201 495 E HA -0.035 4.334 4.350 0.030 0.000 0.193 495 E C 1.716 178.371 176.600 0.091 0.000 0.957 495 E CA 0.493 56.936 56.400 0.071 0.000 0.858 495 E CB -0.273 29.452 29.700 0.042 0.000 0.816 495 E HN 0.447 nan 8.360 nan 0.000 0.475 496 T N 1.333 115.941 114.554 0.090 0.000 2.977 496 T HA -0.147 4.221 4.350 0.030 0.000 0.271 496 T C 0.491 175.266 174.700 0.125 0.000 1.105 496 T CA 0.405 62.556 62.100 0.085 0.000 1.116 496 T CB -0.456 68.456 68.868 0.073 0.000 0.878 496 T HN 0.084 nan 8.240 nan 0.000 0.509 497 Y N 2.110 122.421 120.300 0.017 0.000 2.702 497 Y HA 0.201 4.770 4.550 0.031 0.000 0.336 497 Y C -0.206 175.705 175.900 0.019 0.000 1.235 497 Y CA -0.732 57.381 58.100 0.022 0.000 1.492 497 Y CB 0.396 38.871 38.460 0.024 0.000 1.308 497 Y HN -0.170 nan 8.280 nan 0.000 0.589 498 V N 8.853 128.401 119.914 -0.610 0.000 2.326 498 V HA 0.252 4.391 4.120 0.030 0.000 0.281 498 V C -2.098 173.495 176.094 -0.835 0.000 1.015 498 V CA -2.015 59.991 62.300 -0.490 0.000 0.823 498 V CB 0.932 32.594 31.823 -0.267 0.000 1.009 498 V HN 0.754 nan 8.190 nan 0.000 0.436 499 P HA -0.089 nan 4.420 nan 0.000 0.259 499 P C -0.149 177.096 177.300 -0.090 0.000 1.163 499 P CA 0.145 63.091 63.100 -0.255 0.000 0.760 499 P CB 0.660 32.308 31.700 -0.087 0.000 0.762 500 K N 3.718 124.156 120.400 0.063 0.000 2.453 500 K HA -0.059 4.279 4.320 0.030 0.000 0.280 500 K C 0.603 177.366 176.600 0.272 0.000 1.045 500 K CA -0.104 56.272 56.287 0.149 0.000 1.059 500 K CB 0.286 32.921 32.500 0.224 0.000 0.901 500 K HN 0.463 nan 8.250 nan 0.000 0.475 501 E N 3.916 124.210 120.200 0.156 0.000 2.437 501 E HA -0.095 4.273 4.350 0.030 0.000 0.263 501 E C -0.257 176.379 176.600 0.059 0.000 1.030 501 E CA -0.294 56.204 56.400 0.164 0.000 0.934 501 E CB 0.309 30.060 29.700 0.085 0.000 0.943 501 E HN 0.441 nan 8.360 nan 0.000 0.444 502 F N 2.194 121.993 119.950 -0.253 0.000 2.586 502 F HA 0.079 4.624 4.527 0.030 0.000 0.344 502 F C 0.341 176.061 175.800 -0.133 0.000 1.188 502 F CA 0.483 58.212 58.000 -0.453 0.000 1.359 502 F CB 0.622 39.353 39.000 -0.449 0.000 1.129 502 F HN 0.640 nan 8.300 nan 0.000 0.609 503 N N 3.133 120.988 118.700 -1.407 0.000 2.905 503 N HA 0.151 4.909 4.740 0.030 0.000 0.255 503 N C -0.284 174.559 175.510 -1.111 0.000 1.199 503 N CA 0.239 52.715 53.050 -0.957 0.000 0.911 503 N CB 1.411 39.655 38.487 -0.405 0.000 1.550 503 N HN 0.752 nan 8.380 nan 0.000 0.599 504 A N 2.450 124.697 122.820 -0.954 0.000 2.019 504 A HA -0.154 4.184 4.320 0.030 0.000 0.219 504 A C 1.740 179.233 177.584 -0.153 0.000 1.164 504 A CA 1.841 53.711 52.037 -0.278 0.000 0.644 504 A CB -0.285 18.741 19.000 0.043 0.000 0.805 504 A HN 0.755 nan 8.150 nan 0.000 0.449 505 E N 0.122 120.195 120.200 -0.213 0.000 2.058 505 E HA -0.149 4.219 4.350 0.030 0.000 0.194 505 E C 1.876 178.308 176.600 -0.281 0.000 0.997 505 E CA 2.189 58.480 56.400 -0.182 0.000 0.801 505 E CB -0.815 28.796 29.700 -0.149 0.000 0.746 505 E HN 0.448 nan 8.360 nan 0.000 0.450 506 T N -0.446 113.869 114.554 -0.398 0.000 2.881 506 T HA -0.108 4.260 4.350 0.030 0.000 0.270 506 T C 0.642 174.780 174.700 -0.937 0.000 1.068 506 T CA 1.306 63.012 62.100 -0.657 0.000 1.131 506 T CB -0.290 68.058 68.868 -0.867 0.000 0.871 506 T HN 0.180 nan 8.240 nan 0.000 0.479 507 F N 1.165 120.901 119.950 -0.357 0.000 2.661 507 F HA 0.231 4.776 4.527 0.030 0.000 0.306 507 F C 1.065 176.319 175.800 -0.909 0.000 1.094 507 F CA -0.659 57.053 58.000 -0.480 0.000 1.254 507 F CB -0.132 38.816 39.000 -0.085 0.000 1.040 507 F HN -0.055 nan 8.300 nan 0.000 0.562 508 T N -0.747 113.446 114.554 -0.601 0.000 2.806 508 T HA 0.566 4.934 4.350 0.030 0.000 0.290 508 T C -0.683 173.618 174.700 -0.665 0.000 0.966 508 T CA -0.341 61.466 62.100 -0.488 0.000 1.060 508 T CB 0.697 69.438 68.868 -0.211 0.000 0.927 508 T HN -0.051 nan 8.240 nan 0.000 0.485 509 F N 0.910 120.896 119.950 0.059 0.000 2.507 509 F HA 0.536 5.081 4.527 0.030 0.000 0.325 509 F C 0.353 176.091 175.800 -0.104 0.000 1.116 509 F CA -1.252 56.805 58.000 0.095 0.000 0.930 509 F CB 1.279 40.529 39.000 0.416 0.000 1.146 509 F HN 0.608 nan 8.300 nan 0.000 0.447 510 H N 0.131 119.253 119.070 0.087 0.000 2.567 510 H HA 0.574 5.148 4.556 0.030 0.000 0.345 510 H C 0.748 175.601 175.328 -0.791 0.000 1.169 510 H CA -0.438 55.481 56.048 -0.214 0.000 1.227 510 H CB 1.558 31.269 29.762 -0.085 0.000 1.607 510 H HN 0.770 nan 8.280 nan 0.000 0.534 511 A N 1.203 123.445 122.820 -0.963 0.000 2.194 511 A HA -0.241 4.097 4.320 0.030 0.000 0.220 511 A C 1.770 179.130 177.584 -0.373 0.000 1.162 511 A CA 1.740 53.180 52.037 -0.996 0.000 0.674 511 A CB -0.748 18.138 19.000 -0.190 0.000 0.789 511 A HN 0.919 nan 8.150 nan 0.000 0.470 512 D N 0.912 121.189 120.400 -0.206 0.000 2.265 512 D HA -0.224 4.434 4.640 0.030 0.000 0.208 512 D C 1.596 177.861 176.300 -0.057 0.000 0.977 512 D CA 1.565 55.515 54.000 -0.084 0.000 0.871 512 D CB -0.644 40.130 40.800 -0.042 0.000 0.925 512 D HN 0.688 nan 8.370 nan 0.000 0.485 513 I N -0.006 120.516 120.570 -0.081 0.000 2.394 513 I HA -0.177 4.011 4.170 0.030 0.000 0.251 513 I C 2.128 178.253 176.117 0.013 0.000 1.136 513 I CA 0.591 61.895 61.300 0.007 0.000 1.425 513 I CB -0.812 37.233 38.000 0.074 0.000 1.079 513 I HN -0.009 nan 8.210 nan 0.000 0.425 514 c N 0.110 118.704 118.600 -0.010 0.000 2.425 514 c HA -0.113 4.476 4.570 0.030 0.000 0.277 514 c C 2.226 176.328 174.090 0.020 0.000 1.280 514 c CA 1.413 57.764 56.329 0.037 0.000 1.744 514 c CB -1.806 40.749 42.510 0.074 0.000 1.989 514 c HN 0.693 nan 8.230 nan 0.000 0.491 515 T N 0.891 115.448 114.554 0.006 0.000 3.218 515 T HA 0.500 4.868 4.350 0.030 0.000 0.241 515 T C -0.349 174.355 174.700 0.007 0.000 0.929 515 T CA 0.046 62.150 62.100 0.007 0.000 0.979 515 T CB -0.727 68.143 68.868 0.003 0.000 1.129 515 T HN 0.296 nan 8.240 nan 0.000 0.559 516 L N 1.633 122.863 121.223 0.012 0.000 2.323 516 L HA 0.600 4.958 4.340 0.030 0.000 0.265 516 L C 0.510 177.387 176.870 0.012 0.000 1.012 516 L CA -1.107 53.743 54.840 0.016 0.000 0.820 516 L CB 2.180 44.255 42.059 0.026 0.000 1.334 516 L HN 0.352 nan 8.230 nan 0.000 0.427 517 S N 0.014 115.722 115.700 0.012 0.000 2.562 517 S HA 0.001 4.489 4.470 0.030 0.000 0.281 517 S C 0.866 175.468 174.600 0.002 0.000 1.333 517 S CA -0.337 57.868 58.200 0.008 0.000 1.052 517 S CB 1.408 64.615 63.200 0.011 0.000 0.884 517 S HN 0.708 nan 8.310 nan 0.000 0.506 518 E N 3.222 123.415 120.200 -0.012 0.000 2.095 518 E HA -0.280 4.088 4.350 0.030 0.000 0.212 518 E C 1.611 178.193 176.600 -0.029 0.000 1.044 518 E CA 2.458 58.837 56.400 -0.035 0.000 0.857 518 E CB -0.502 29.168 29.700 -0.049 0.000 0.764 518 E HN 0.856 nan 8.360 nan 0.000 0.462 519 K N 0.188 120.583 120.400 -0.008 0.000 2.001 519 K HA -0.235 4.103 4.320 0.030 0.000 0.223 519 K C 2.141 178.758 176.600 0.028 0.000 1.055 519 K CA 1.821 58.116 56.287 0.013 0.000 0.965 519 K CB -0.453 32.061 32.500 0.022 0.000 0.730 519 K HN 0.163 nan 8.250 nan 0.000 0.449 520 E N 0.901 121.118 120.200 0.029 0.000 2.108 520 E HA -0.249 4.119 4.350 0.030 0.000 0.203 520 E C 2.125 178.758 176.600 0.056 0.000 1.022 520 E CA 1.513 57.937 56.400 0.041 0.000 0.823 520 E CB -0.307 29.413 29.700 0.034 0.000 0.744 520 E HN 0.331 nan 8.360 nan 0.000 0.456 521 R N 0.509 121.034 120.500 0.042 0.000 2.091 521 R HA -0.143 4.215 4.340 0.030 0.000 0.238 521 R C 2.603 178.949 176.300 0.077 0.000 1.136 521 R CA 1.569 57.704 56.100 0.058 0.000 0.959 521 R CB -0.197 30.115 30.300 0.020 0.000 0.856 521 R HN 0.325 nan 8.270 nan 0.000 0.437 522 Q N 0.086 119.908 119.800 0.038 0.000 2.049 522 Q HA -0.077 4.282 4.340 0.030 0.000 0.198 522 Q C 2.130 178.242 176.000 0.187 0.000 0.971 522 Q CA 0.922 56.794 55.803 0.114 0.000 0.833 522 Q CB -0.001 28.772 28.738 0.059 0.000 0.896 522 Q HN 0.281 nan 8.270 nan 0.000 0.434 523 I N 1.410 122.053 120.570 0.123 0.000 2.399 523 I HA -0.264 3.924 4.170 0.030 0.000 0.254 523 I C 1.888 178.065 176.117 0.100 0.000 1.146 523 I CA 1.578 62.939 61.300 0.101 0.000 1.412 523 I CB -0.851 37.190 38.000 0.069 0.000 1.076 523 I HN 0.232 nan 8.210 nan 0.000 0.432 524 K N 0.918 121.388 120.400 0.117 0.000 2.137 524 K HA -0.061 4.278 4.320 0.030 0.000 0.202 524 K C 2.087 178.783 176.600 0.160 0.000 1.052 524 K CA 0.678 57.047 56.287 0.137 0.000 0.961 524 K CB 0.059 32.657 32.500 0.162 0.000 0.741 524 K HN 0.334 nan 8.250 nan 0.000 0.452 525 K N 1.132 121.637 120.400 0.175 0.000 2.062 525 K HA -0.115 4.223 4.320 0.030 0.000 0.205 525 K C 2.198 178.839 176.600 0.068 0.000 1.051 525 K CA 1.186 57.551 56.287 0.130 0.000 0.941 525 K CB 0.016 32.667 32.500 0.251 0.000 0.719 525 K HN 0.167 nan 8.250 nan 0.000 0.440 526 Q N 0.201 120.067 119.800 0.110 0.000 2.119 526 Q HA -0.089 4.269 4.340 0.030 0.000 0.201 526 Q C 1.996 178.015 176.000 0.031 0.000 0.972 526 Q CA 1.533 57.369 55.803 0.055 0.000 0.847 526 Q CB -0.204 28.577 28.738 0.071 0.000 0.903 526 Q HN 0.258 nan 8.270 nan 0.000 0.433 527 T N 0.976 115.554 114.554 0.039 0.000 2.833 527 T HA -0.137 4.231 4.350 0.030 0.000 0.269 527 T C 1.845 176.535 174.700 -0.017 0.000 1.054 527 T CA 1.214 63.320 62.100 0.009 0.000 1.135 527 T CB -0.131 68.740 68.868 0.005 0.000 0.869 527 T HN 0.395 nan 8.240 nan 0.000 0.466 528 A N 1.255 124.076 122.820 0.001 0.000 1.878 528 A HA 0.173 4.511 4.320 0.030 0.000 0.213 528 A C 2.160 179.786 177.584 0.069 0.000 1.192 528 A CA 0.774 52.808 52.037 -0.006 0.000 0.619 528 A CB -0.758 18.299 19.000 0.093 0.000 0.837 528 A HN 0.416 nan 8.150 nan 0.000 0.446 529 L N 0.210 121.448 121.223 0.024 0.000 2.137 529 L HA -0.162 4.196 4.340 0.030 0.000 0.213 529 L C 2.115 179.019 176.870 0.056 0.000 1.085 529 L CA 2.010 56.864 54.840 0.022 0.000 0.760 529 L CB -0.413 41.632 42.059 -0.023 0.000 0.893 529 L HN 0.149 nan 8.230 nan 0.000 0.434 530 V N -0.729 119.215 119.914 0.049 0.000 2.273 530 V HA -0.121 4.017 4.120 0.030 0.000 0.242 530 V C 2.513 178.672 176.094 0.109 0.000 1.035 530 V CA 1.514 63.847 62.300 0.054 0.000 1.013 530 V CB -0.658 31.182 31.823 0.028 0.000 0.652 530 V HN 0.373 nan 8.190 nan 0.000 0.452 531 E N 0.175 120.436 120.200 0.103 0.000 2.273 531 E HA -0.227 4.141 4.350 0.030 0.000 0.198 531 E C 1.991 178.871 176.600 0.467 0.000 1.002 531 E CA 1.073 57.577 56.400 0.173 0.000 0.828 531 E CB -0.303 29.325 29.700 -0.120 0.000 0.747 531 E HN 0.462 nan 8.360 nan 0.000 0.491 532 L N 0.159 121.648 121.223 0.444 0.000 2.023 532 L HA -0.110 4.249 4.340 0.030 0.000 0.205 532 L C 2.234 179.234 176.870 0.217 0.000 1.073 532 L CA 1.347 56.417 54.840 0.383 0.000 0.745 532 L CB -0.635 41.572 42.059 0.246 0.000 0.900 532 L HN -0.125 nan 8.230 nan 0.000 0.435 533 V N -0.105 119.895 119.914 0.144 0.000 2.594 533 V HA -0.252 3.886 4.120 0.030 0.000 0.253 533 V C 2.508 178.679 176.094 0.128 0.000 1.069 533 V CA 1.845 64.197 62.300 0.086 0.000 1.082 533 V CB -0.862 30.980 31.823 0.032 0.000 0.680 533 V HN 0.455 nan 8.190 nan 0.000 0.469 534 K N -0.822 119.693 120.400 0.193 0.000 2.296 534 K HA -0.120 4.219 4.320 0.030 0.000 0.200 534 K C 2.102 178.947 176.600 0.407 0.000 1.048 534 K CA 1.058 57.518 56.287 0.289 0.000 0.966 534 K CB -0.081 32.574 32.500 0.258 0.000 0.754 534 K HN 0.578 nan 8.250 nan 0.000 0.466 535 H N 0.207 119.425 119.070 0.247 0.000 2.476 535 H HA 0.179 4.753 4.556 0.031 0.000 0.292 535 H C 0.121 175.517 175.328 0.113 0.000 1.019 535 H CA 0.892 57.056 56.048 0.195 0.000 1.330 535 H CB 0.577 30.468 29.762 0.215 0.000 1.451 535 H HN -0.261 nan 8.280 nan 0.000 0.535 536 K N 1.785 122.118 120.400 -0.112 0.000 2.877 536 K HA 0.228 4.566 4.320 0.030 0.000 0.176 536 K C -2.109 174.469 176.600 -0.036 0.000 1.075 536 K CA -2.222 53.952 56.287 -0.188 0.000 0.939 536 K CB 1.005 33.385 32.500 -0.201 0.000 1.237 536 K HN 0.196 nan 8.250 nan 0.000 0.607 537 P HA -0.194 nan 4.420 nan 0.000 0.216 537 P C 0.003 177.313 177.300 0.017 0.000 1.150 537 P CA 0.977 64.111 63.100 0.056 0.000 0.837 537 P CB 0.276 32.070 31.700 0.156 0.000 0.786 538 K N 0.569 120.972 120.400 0.005 0.000 3.277 538 K HA 0.275 4.613 4.320 0.030 0.000 0.291 538 K C 0.576 177.163 176.600 -0.022 0.000 0.994 538 K CA -0.119 56.164 56.287 -0.008 0.000 1.147 538 K CB -0.926 31.567 32.500 -0.012 0.000 1.185 538 K HN 0.132 nan 8.250 nan 0.000 0.422 539 A N 0.634 123.440 122.820 -0.022 0.000 2.305 539 A HA 0.430 4.768 4.320 0.030 0.000 0.322 539 A C 0.135 177.706 177.584 -0.022 0.000 1.187 539 A CA -0.465 51.556 52.037 -0.026 0.000 0.825 539 A CB 0.583 19.566 19.000 -0.028 0.000 1.164 539 A HN 0.219 nan 8.150 nan 0.000 0.498 540 T N 2.072 116.613 114.554 -0.021 0.000 2.904 540 T HA 0.169 4.537 4.350 0.030 0.000 0.290 540 T C 1.136 175.825 174.700 -0.018 0.000 1.018 540 T CA -0.559 61.530 62.100 -0.018 0.000 1.075 540 T CB 0.819 69.678 68.868 -0.015 0.000 0.986 540 T HN 0.560 nan 8.240 nan 0.000 0.523 541 K N 1.229 121.618 120.400 -0.019 0.000 2.519 541 K HA -0.059 4.279 4.320 0.030 0.000 0.196 541 K C 1.651 178.244 176.600 -0.011 0.000 1.041 541 K CA 0.836 57.112 56.287 -0.018 0.000 0.954 541 K CB 0.069 32.557 32.500 -0.019 0.000 0.774 541 K HN 0.518 nan 8.250 nan 0.000 0.480 542 E N 0.443 120.637 120.200 -0.010 0.000 2.030 542 E HA -0.064 4.304 4.350 0.030 0.000 0.189 542 E C 1.852 178.448 176.600 -0.007 0.000 0.974 542 E CA 0.834 57.230 56.400 -0.007 0.000 0.807 542 E CB -0.092 29.604 29.700 -0.007 0.000 0.771 542 E HN 0.362 nan 8.360 nan 0.000 0.451 543 Q N 0.123 119.917 119.800 -0.012 0.000 2.364 543 Q HA -0.050 4.308 4.340 0.030 0.000 0.207 543 Q C 1.820 177.812 176.000 -0.012 0.000 0.970 543 Q CA 0.470 56.265 55.803 -0.014 0.000 0.888 543 Q CB 0.144 28.869 28.738 -0.022 0.000 0.951 543 Q HN 0.039 nan 8.270 nan 0.000 0.469 544 L N 0.084 121.300 121.223 -0.011 0.000 2.357 544 L HA 0.032 4.390 4.340 0.030 0.000 0.211 544 L C 1.946 178.815 176.870 -0.001 0.000 1.075 544 L CA 1.076 55.910 54.840 -0.009 0.000 0.830 544 L CB 0.011 42.061 42.059 -0.015 0.000 0.996 544 L HN -0.115 nan 8.230 nan 0.000 0.467 545 K N 0.686 121.086 120.400 0.001 0.000 2.147 545 K HA 0.046 4.385 4.320 0.030 0.000 0.205 545 K C 1.062 177.674 176.600 0.021 0.000 1.049 545 K CA 0.922 57.215 56.287 0.009 0.000 0.936 545 K CB -0.315 32.190 32.500 0.008 0.000 0.722 545 K HN 0.321 nan 8.250 nan 0.000 0.446 546 A N 0.054 122.884 122.820 0.017 0.000 2.262 546 A HA 0.262 4.600 4.320 0.030 0.000 0.275 546 A C 1.502 179.106 177.584 0.032 0.000 1.402 546 A CA 0.605 52.656 52.037 0.024 0.000 0.817 546 A CB -0.191 18.818 19.000 0.014 0.000 1.271 546 A HN 0.097 nan 8.150 nan 0.000 0.520 547 V N -1.985 117.952 119.914 0.038 0.000 0.607 547 V HA -0.497 3.641 4.120 0.030 0.000 0.092 547 V C 2.183 178.328 176.094 0.084 0.000 1.699 547 V CA 3.185 65.513 62.300 0.046 0.000 3.351 547 V CB -2.007 29.826 31.823 0.016 0.000 0.632 547 V HN 0.863 nan 8.190 nan 0.000 0.650 548 M N -0.720 118.918 119.600 0.063 0.000 2.192 548 M HA -0.265 4.233 4.480 0.030 0.000 0.259 548 M C 1.575 177.974 176.300 0.165 0.000 1.071 548 M CA 2.661 58.017 55.300 0.092 0.000 1.082 548 M CB -0.578 32.055 32.600 0.055 0.000 1.373 548 M HN 0.637 nan 8.290 nan 0.000 0.408 549 D N 0.093 120.564 120.400 0.119 0.000 2.149 549 D HA -0.106 4.553 4.640 0.030 0.000 0.206 549 D C 1.466 177.840 176.300 0.122 0.000 0.967 549 D CA 0.899 54.965 54.000 0.110 0.000 0.848 549 D CB -0.116 40.726 40.800 0.069 0.000 0.998 549 D HN 0.218 nan 8.370 nan 0.000 0.474 550 D N -0.406 120.066 120.400 0.119 0.000 2.354 550 D HA -0.142 4.516 4.640 0.030 0.000 0.216 550 D C 1.341 177.753 176.300 0.188 0.000 0.970 550 D CA 0.462 54.536 54.000 0.124 0.000 0.905 550 D CB 0.023 40.885 40.800 0.103 0.000 0.903 550 D HN 0.238 nan 8.370 nan 0.000 0.508 551 F N 1.108 121.082 119.950 0.039 0.000 2.317 551 F HA 0.207 4.753 4.527 0.031 0.000 0.290 551 F C 2.219 178.081 175.800 0.104 0.000 1.075 551 F CA 0.590 58.602 58.000 0.021 0.000 1.380 551 F CB -0.145 38.791 39.000 -0.107 0.000 1.093 551 F HN -0.097 nan 8.300 nan 0.000 0.524 552 A N 0.920 123.835 122.820 0.159 0.000 1.881 552 A HA -0.273 4.065 4.320 0.030 0.000 0.219 552 A C 2.323 179.880 177.584 -0.045 0.000 1.215 552 A CA 2.631 54.710 52.037 0.069 0.000 0.648 552 A CB -1.649 17.408 19.000 0.096 0.000 0.832 552 A HN 0.506 nan 8.150 nan 0.000 0.455 553 A N -2.138 120.670 122.820 -0.020 0.000 2.123 553 A HA 0.225 4.563 4.320 0.030 0.000 0.214 553 A C 1.841 179.354 177.584 -0.118 0.000 1.152 553 A CA 0.966 52.966 52.037 -0.061 0.000 0.728 553 A CB -0.619 18.363 19.000 -0.030 0.000 0.814 553 A HN 0.826 nan 8.150 nan 0.000 0.464 554 F N 0.795 120.584 119.950 -0.268 0.000 2.307 554 F HA -0.170 4.376 4.527 0.031 0.000 0.301 554 F C 1.634 177.172 175.800 -0.437 0.000 1.076 554 F CA 1.876 59.683 58.000 -0.322 0.000 1.383 554 F CB -0.026 38.781 39.000 -0.321 0.000 1.055 554 F HN 0.045 nan 8.300 nan 0.000 0.526 555 V N -0.070 119.595 119.914 -0.415 0.000 2.374 555 V HA -0.131 4.007 4.120 0.030 0.000 0.241 555 V C 2.244 178.159 176.094 -0.298 0.000 1.034 555 V CA 1.491 63.573 62.300 -0.363 0.000 1.037 555 V CB -0.801 30.881 31.823 -0.235 0.000 0.682 555 V HN 0.231 nan 8.190 nan 0.000 0.463 556 E N 1.297 121.371 120.200 -0.209 0.000 2.219 556 E HA -0.281 4.087 4.350 0.030 0.000 0.198 556 E C 1.928 178.406 176.600 -0.202 0.000 0.998 556 E CA 1.616 57.924 56.400 -0.152 0.000 0.818 556 E CB -0.250 29.389 29.700 -0.103 0.000 0.741 556 E HN 0.482 nan 8.360 nan 0.000 0.477 557 K N -1.487 118.734 120.400 -0.297 0.000 2.400 557 K HA 0.120 4.458 4.320 0.030 0.000 0.194 557 K C 0.850 177.166 176.600 -0.475 0.000 1.033 557 K CA 0.799 56.890 56.287 -0.327 0.000 1.021 557 K CB -0.117 32.200 32.500 -0.305 0.000 0.808 557 K HN 0.220 nan 8.250 nan 0.000 0.505 558 c N -1.530 116.665 118.600 -0.675 0.000 3.580 558 c HA 0.301 4.889 4.570 0.030 0.000 0.337 558 c C 1.714 175.542 174.090 -0.437 0.000 1.412 558 c CA -0.543 55.218 56.329 -0.947 0.000 1.797 558 c CB -0.467 40.616 42.510 -2.378 0.000 2.470 558 c HN 0.596 nan 8.230 nan 0.000 0.691 559 c N 0.250 118.745 118.600 -0.174 0.000 2.674 559 c HA 0.059 4.648 4.570 0.030 0.000 0.276 559 c C 2.582 176.669 174.090 -0.007 0.000 1.300 559 c CA 0.557 56.921 56.329 0.058 0.000 1.732 559 c CB -0.771 41.796 42.510 0.095 0.000 2.076 559 c HN 0.649 nan 8.230 nan 0.000 0.548 560 K N 1.644 122.003 120.400 -0.068 0.000 2.211 560 K HA 0.171 4.509 4.320 0.030 0.000 0.201 560 K C 1.039 177.605 176.600 -0.056 0.000 1.052 560 K CA 0.541 56.796 56.287 -0.054 0.000 0.973 560 K CB -0.108 32.351 32.500 -0.069 0.000 0.766 560 K HN 0.366 nan 8.250 nan 0.000 0.466 561 A N 2.180 124.946 122.820 -0.090 0.000 2.586 561 A HA -0.094 4.244 4.320 0.030 0.000 0.231 561 A C 0.227 177.788 177.584 -0.038 0.000 1.055 561 A CA 0.330 52.317 52.037 -0.083 0.000 0.756 561 A CB 0.099 19.017 19.000 -0.136 0.000 0.988 561 A HN 0.376 nan 8.150 nan 0.000 0.509 562 D N 0.132 120.513 120.400 -0.031 0.000 2.144 562 D HA -0.042 4.616 4.640 0.030 0.000 0.200 562 D C 0.268 176.568 176.300 0.000 0.000 0.978 562 D CA 1.880 55.873 54.000 -0.012 0.000 0.833 562 D CB 0.042 40.835 40.800 -0.012 0.000 0.961 562 D HN 0.710 nan 8.370 nan 0.000 0.470 563 D N 0.745 121.140 120.400 -0.008 0.000 2.479 563 D HA 0.034 4.692 4.640 0.030 0.000 0.247 563 D C 0.794 177.104 176.300 0.017 0.000 1.119 563 D CA -0.636 53.370 54.000 0.010 0.000 0.922 563 D CB 0.461 41.264 40.800 0.005 0.000 1.014 563 D HN -0.186 nan 8.370 nan 0.000 0.510 564 K N 2.247 122.687 120.400 0.067 0.000 2.867 564 K HA 0.087 4.425 4.320 0.030 0.000 0.318 564 K C 0.862 177.590 176.600 0.213 0.000 1.081 564 K CA 0.039 56.425 56.287 0.166 0.000 1.275 564 K CB -0.454 32.238 32.500 0.320 0.000 1.472 564 K HN 0.241 nan 8.250 nan 0.000 0.514 565 E N -0.712 119.692 120.200 0.340 0.000 4.100 565 E HA -0.276 4.092 4.350 0.030 0.000 0.204 565 E C 1.701 178.447 176.600 0.243 0.000 1.271 565 E CA 2.997 59.548 56.400 0.251 0.000 2.192 565 E CB -1.905 27.881 29.700 0.144 0.000 1.879 565 E HN 0.720 nan 8.360 nan 0.000 0.291 566 T N 0.764 115.406 114.554 0.147 0.000 2.857 566 T HA -0.121 4.247 4.350 0.030 0.000 0.266 566 T C 1.843 176.586 174.700 0.070 0.000 1.048 566 T CA 1.479 63.642 62.100 0.104 0.000 1.139 566 T CB -0.542 68.363 68.868 0.062 0.000 0.874 566 T HN 0.531 nan 8.240 nan 0.000 0.455 567 c N 1.153 119.756 118.600 0.005 0.000 2.413 567 c HA -0.094 4.494 4.570 0.030 0.000 0.276 567 c C 2.014 175.984 174.090 -0.201 0.000 1.248 567 c CA 0.390 56.625 56.329 -0.158 0.000 1.742 567 c CB -1.729 40.589 42.510 -0.320 0.000 2.017 567 c HN 0.545 nan 8.230 nan 0.000 0.481 568 F N 0.880 120.797 119.950 -0.055 0.000 2.802 568 F HA 0.203 4.748 4.527 0.030 0.000 0.302 568 F C 1.753 177.632 175.800 0.132 0.000 1.211 568 F CA 0.733 58.742 58.000 0.017 0.000 1.431 568 F CB -0.325 38.715 39.000 0.067 0.000 1.114 568 F HN 0.406 nan 8.300 nan 0.000 0.567 569 A N -0.180 122.769 122.820 0.215 0.000 1.971 569 A HA 0.111 4.449 4.320 0.030 0.000 0.200 569 A C 1.923 179.594 177.584 0.145 0.000 1.658 569 A CA 0.433 52.578 52.037 0.180 0.000 0.962 569 A CB -0.262 18.825 19.000 0.145 0.000 1.053 569 A HN 0.276 nan 8.150 nan 0.000 0.533 570 E N 0.653 120.908 120.200 0.092 0.000 2.072 570 E HA -0.126 4.242 4.350 0.030 0.000 0.190 570 E C 1.487 178.136 176.600 0.081 0.000 0.982 570 E CA 1.476 57.917 56.400 0.069 0.000 0.803 570 E CB -0.312 29.407 29.700 0.031 0.000 0.755 570 E HN 0.441 nan 8.360 nan 0.000 0.453 571 E N 0.862 121.095 120.200 0.055 0.000 2.047 571 E HA -0.067 4.301 4.350 0.030 0.000 0.191 571 E C 2.213 179.009 176.600 0.326 0.000 0.987 571 E CA 1.170 57.620 56.400 0.085 0.000 0.799 571 E CB -0.785 28.823 29.700 -0.154 0.000 0.752 571 E HN 0.435 nan 8.360 nan 0.000 0.449 572 G N 2.781 111.866 108.800 0.475 0.000 2.586 572 G HA2 -0.321 3.657 3.960 0.030 0.000 0.218 572 G HA3 -0.321 3.657 3.960 0.030 0.000 0.218 572 G C 1.548 176.635 174.900 0.311 0.000 1.216 572 G CA 1.286 46.738 45.100 0.587 0.000 0.786 572 G HN 0.165 nan 8.290 nan 0.000 0.583 573 K N 0.777 121.306 120.400 0.216 0.000 2.089 573 K HA -0.132 4.206 4.320 0.030 0.000 0.210 573 K C 2.407 179.080 176.600 0.123 0.000 1.048 573 K CA 1.437 57.812 56.287 0.147 0.000 0.926 573 K CB -0.423 32.144 32.500 0.112 0.000 0.714 573 K HN 0.384 nan 8.250 nan 0.000 0.448 574 K N 0.390 120.870 120.400 0.133 0.000 2.057 574 K HA -0.119 4.220 4.320 0.030 0.000 0.206 574 K C 2.150 178.814 176.600 0.106 0.000 1.050 574 K CA 0.795 57.144 56.287 0.104 0.000 0.935 574 K CB -0.210 32.349 32.500 0.098 0.000 0.715 574 K HN -0.018 nan 8.250 nan 0.000 0.439 575 L N 0.908 122.225 121.223 0.157 0.000 1.973 575 L HA -0.145 4.213 4.340 0.030 0.000 0.208 575 L C 2.042 178.952 176.870 0.067 0.000 1.073 575 L CA 1.506 56.418 54.840 0.120 0.000 0.746 575 L CB -0.633 41.487 42.059 0.102 0.000 0.891 575 L HN -0.119 nan 8.230 nan 0.000 0.433 576 V N 0.599 120.563 119.914 0.084 0.000 2.278 576 V HA -0.391 3.747 4.120 0.030 0.000 0.251 576 V C 2.833 178.899 176.094 -0.047 0.000 1.062 576 V CA 1.985 64.304 62.300 0.031 0.000 1.038 576 V CB -1.568 30.320 31.823 0.108 0.000 0.646 576 V HN 0.669 nan 8.190 nan 0.000 0.447 577 A N -0.228 122.588 122.820 -0.006 0.000 1.877 577 A HA -0.119 4.219 4.320 0.030 0.000 0.216 577 A C 2.449 180.011 177.584 -0.037 0.000 1.186 577 A CA 2.196 54.214 52.037 -0.031 0.000 0.620 577 A CB -0.915 18.088 19.000 0.005 0.000 0.822 577 A HN 0.618 nan 8.150 nan 0.000 0.443 578 A N -0.677 122.139 122.820 -0.007 0.000 1.940 578 A HA -0.088 4.250 4.320 0.030 0.000 0.219 578 A C 2.356 179.923 177.584 -0.028 0.000 1.176 578 A CA 2.185 54.218 52.037 -0.007 0.000 0.631 578 A CB -0.707 18.305 19.000 0.020 0.000 0.814 578 A HN 0.464 nan 8.150 nan 0.000 0.446 579 S N -0.691 114.984 115.700 -0.043 0.000 2.496 579 S HA -0.046 4.442 4.470 0.030 0.000 0.224 579 S C 1.907 176.435 174.600 -0.120 0.000 0.996 579 S CA 0.454 58.614 58.200 -0.067 0.000 0.927 579 S CB -0.087 63.076 63.200 -0.061 0.000 0.774 579 S HN 0.541 nan 8.310 nan 0.000 0.524 580 Q N 1.248 120.954 119.800 -0.156 0.000 2.170 580 Q HA 0.021 4.380 4.340 0.030 0.000 0.203 580 Q C 2.270 178.187 176.000 -0.138 0.000 0.976 580 Q CA 1.470 57.146 55.803 -0.211 0.000 0.858 580 Q CB -0.384 28.207 28.738 -0.245 0.000 0.907 580 Q HN 0.608 nan 8.270 nan 0.000 0.433 581 A N 0.293 123.055 122.820 -0.096 0.000 1.924 581 A HA 0.210 4.549 4.320 0.030 0.000 0.211 581 A C 2.297 179.845 177.584 -0.059 0.000 1.198 581 A CA 1.071 53.067 52.037 -0.069 0.000 0.657 581 A CB -0.495 18.475 19.000 -0.050 0.000 0.852 581 A HN 0.299 nan 8.150 nan 0.000 0.454 582 A N 0.263 123.051 122.820 -0.053 0.000 1.892 582 A HA -0.056 4.282 4.320 0.030 0.000 0.218 582 A C 1.245 178.799 177.584 -0.049 0.000 1.188 582 A CA 1.307 53.319 52.037 -0.042 0.000 0.631 582 A CB -0.722 18.258 19.000 -0.033 0.000 0.822 582 A HN 0.477 nan 8.150 nan 0.000 0.447 583 L N 0.904 122.086 121.223 -0.068 0.000 2.598 583 L HA 0.355 4.713 4.340 0.030 0.000 0.241 583 L C 1.227 178.043 176.870 -0.090 0.000 1.244 583 L CA -0.584 54.210 54.840 -0.078 0.000 1.198 583 L CB -0.647 41.356 42.059 -0.093 0.000 1.448 583 L HN 0.354 nan 8.230 nan 0.000 0.406 584 G N 0.000 108.758 108.800 -0.070 0.000 5.446 584 G HA2 0.000 3.978 3.960 0.030 0.000 0.244 584 G HA3 0.000 3.978 3.960 0.030 0.000 0.244 584 G CA 0.000 45.060 45.100 -0.066 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925